Ligand source activities (1 row/activity)
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
45498171 | 196298 | None | 9 | Human | Functional | pEC50 | = | 10.8 | 10.8 | 2 | 6 | ChEMBL | 369 | 5 | 1 | 5 | 1.9 | Cc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O | 10.1021/acs.jmedchem.3c00383 | |||
CHEMBL5420881 | 196298 | None | 9 | Human | Functional | pEC50 | = | 10.8 | 10.8 | 2 | 6 | ChEMBL | 369 | 5 | 1 | 5 | 1.9 | Cc1ccccc1OCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O | 10.1021/acs.jmedchem.3c00383 | |||
CHEMBL4210786 | 215724 | None | 0 | Rat | Functional | pEC50 | = | 10.4 | 10.4 | 5 | 2 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
12607 | 3784 | None | 35 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -1 | 4 | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | |||
16033 | 3784 | None | 35 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -1 | 4 | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | |||
CHEMBL3559801 | 3784 | None | 35 | Human | Functional | pEC50 | = | 10.2 | 10.2 | -1 | 4 | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | |||
137641708 | 158494 | None | 0 | Human | Functional | pEC50 | = | 10.2 | 10.2 | - | 1 | ChEMBL | 1850 | 57 | 29 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090092 | 158494 | None | 0 | Human | Functional | pEC50 | = | 10.2 | 10.2 | - | 1 | ChEMBL | 1850 | 57 | 29 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4207076 | 215716 | None | 0 | Human | Functional | pEC50 | = | 10.0 | 10.0 | - | 1 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4208191 | 215719 | None | 0 | Human | Functional | pEC50 | = | 10.0 | 10.0 | - | 1 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
162648215 | 180024 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | - | 1 | ChEMBL | 4278 | 111 | 63 | 59 | -17.3 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4746101 | 180024 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | - | 1 | ChEMBL | 4278 | 111 | 63 | 59 | -17.3 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4206938 | 215715 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4211310 | 215726 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4211953 | 215730 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4216889 | 215740 | None | 0 | Human | Functional | pEC50 | = | 9.9 | 9.9 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4210786 | 215724 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | -5 | 2 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137634023 | 156723 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | - | 1 | ChEMBL | 1892 | 58 | 31 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4069205 | 156723 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | - | 1 | ChEMBL | 1892 | 58 | 31 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4202723 | 215703 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4206417 | 215713 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4208856 | 215720 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | - | 1 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4216864 | 215739 | None | 0 | Human | Functional | pEC50 | = | 9.8 | 9.8 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
162648215 | 180024 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 4278 | 111 | 63 | 59 | -17.3 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4746101 | 180024 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 4278 | 111 | 63 | 59 | -17.3 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
162673530 | 183131 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 4292 | 111 | 63 | 59 | -16.9 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4793898 | 183131 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 4292 | 111 | 63 | 59 | -16.9 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCCCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4204797 | 215707 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4207590 | 215717 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137639373 | 156778 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1860 | 56 | 27 | 23 | -4.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4069788 | 156778 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1860 | 56 | 27 | 23 | -4.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pEC50 | = | 9.7 | 9.7 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||||
137637360 | 156212 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1864 | 58 | 29 | 24 | -6.5 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4063306 | 156212 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1864 | 58 | 29 | 24 | -6.5 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137637657 | 156330 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4064778 | 156330 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137655430 | 158900 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4094429 | 158900 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137651823 | 157271 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4075597 | 157271 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137637657 | 156330 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4064778 | 156330 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4212927 | 215733 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137632397 | 156377 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1849 | 57 | 28 | 23 | -5.4 | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065281 | 156377 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 1849 | 57 | 28 | 23 | -5.4 | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4205712 | 215710 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4208023 | 215718 | None | 0 | Human | Functional | pEC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2017.06.055 | |||||
137638459 | 156787 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 4047 | 129 | 61 | 56 | -16.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@H](C)O)C(C)C | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4069932 | 156787 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 4047 | 129 | 61 | 56 | -16.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@H](C)O)C(C)C | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4211441 | 215728 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4217524 | 215743 | None | 0 | Human | Functional | pEC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pEC50 | = | 9.6 | 9.6 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmc.2017.08.044 | |||||
162676875 | 183678 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 1995 | 2 | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4800389 | 183678 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 1995 | 2 | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
162656752 | 181026 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 5065 | 154 | 69 | 69 | -13.7 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4757910 | 181026 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 5065 | 154 | 69 | 69 | -13.7 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL3099721 | 213479 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | 95 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
162647227 | 179851 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 4110 | 126 | 63 | 57 | -17.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4744204 | 179851 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 4110 | 126 | 63 | 57 | -17.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
162673585 | 183234 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 4123 | 128 | 63 | 57 | -16.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4795037 | 183234 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 4123 | 128 | 63 | 57 | -16.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
137644502 | 158565 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 1799 | 55 | 28 | 23 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090786 | 158565 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 1799 | 55 | 28 | 23 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4212566 | 215731 | None | 0 | Human | Functional | pEC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
122178183 | 121329 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 1872 | 61 | 31 | 25 | -7.4 | CC(=O)NC(CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||
CHEMBL3578012 | 121329 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 1872 | 61 | 31 | 25 | -7.4 | CC(=O)NC(CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||
122178183 | 121329 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 1872 | 61 | 31 | 25 | -7.4 | CC(=O)NC(CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||
CHEMBL3578012 | 121329 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 1872 | 61 | 31 | 25 | -7.4 | CC(=O)NC(CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||
CHEMBL4214907 | 215737 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CCC(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
162676875 | 183678 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | 1995 | 2 | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4800389 | 183678 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | 1995 | 2 | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
137646370 | 158121 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 1823 | 56 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4085697 | 158121 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 1823 | 56 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4213780 | 215735 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137658962 | 159163 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 1840 | 57 | 28 | 23 | -6.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4097195 | 159163 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 1840 | 57 | 28 | 23 | -6.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
162676573 | 183606 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 4834 | 143 | 66 | 66 | -13.8 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4799638 | 183606 | None | 0 | Human | Functional | pEC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 4834 | 143 | 66 | 66 | -13.8 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | |||
137641937 | 158495 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 1884 | 56 | 28 | 24 | -6.0 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090126 | 158495 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 1884 | 56 | 28 | 24 | -6.0 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4210343 | 215723 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
162659353 | 181437 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 4293 | 111 | 64 | 60 | -18.5 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCNCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4762811 | 181437 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 4293 | 111 | 64 | 60 | -18.5 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCNCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL3578011 | 214223 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL4209661 | 215721 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4216997 | 215741 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL3578011 | 214223 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
137653207 | 158736 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 1837 | 57 | 29 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4092494 | 158736 | None | 0 | Human | Functional | pEC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 1837 | 57 | 29 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
162659115 | 181456 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 4291 | 112 | 63 | 59 | -16.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4763048 | 181456 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 4291 | 112 | 63 | 59 | -16.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
137659071 | 159407 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4099784 | 159407 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4203253 | 215705 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137660673 | 159312 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1823 | 55 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4098787 | 159312 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1823 | 55 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL3578010 | 214222 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm501702q | |||||
137638723 | 157068 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4073010 | 157068 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137643080 | 158559 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4090700 | 158559 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137638723 | 157068 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4073010 | 157068 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
162643536 | 181838 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 4821 | 142 | 66 | 66 | -14.5 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4777115 | 181838 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 4821 | 142 | 66 | 66 | -14.5 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL3578010 | 214222 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm501702q | |||||
162649665 | 180228 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 5136 | 156 | 69 | 70 | -14.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4748622 | 180228 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 5136 | 156 | 69 | 70 | -14.2 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCCC2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
162659115 | 181456 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 4291 | 112 | 63 | 59 | -16.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4763048 | 181456 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 4291 | 112 | 63 | 59 | -16.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
137661485 | 159568 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4101589 | 159568 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
162650388 | 180178 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 4221 | 112 | 62 | 59 | -17.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4747959 | 180178 | None | 0 | Human | Functional | pEC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 4221 | 112 | 62 | 59 | -17.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
137634780 | 156074 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 1894 | 60 | 30 | 24 | -5.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4061596 | 156074 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 1894 | 60 | 30 | 24 | -5.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137649686 | 157250 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4075287 | 157250 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
56841989 | 215881 | None | 6 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -1 | 6 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281479 | 215881 | None | 6 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -1 | 6 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
56841989 | 215881 | None | 6 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -1 | 6 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281479 | 215881 | None | 6 | Human | Functional | pEC50 | = | 9.1 | 9.1 | -1 | 6 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4211438 | 215727 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
162654714 | 180730 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 4792 | 141 | 66 | 65 | -13.4 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4754752 | 180730 | None | 0 | Human | Functional | pEC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 4792 | 141 | 66 | 65 | -13.4 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
162672289 | 183022 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 4805 | 142 | 66 | 65 | -12.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4792453 | 183022 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 4805 | 142 | 66 | 65 | -12.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4279794 | 215860 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | 7 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4292105 | 215974 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | 7 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
162650388 | 180178 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 4221 | 112 | 62 | 59 | -17.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4747959 | 180178 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 4221 | 112 | 62 | 59 | -17.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pEC50 | = | 9 | 9.0 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||||
CHEMBL3099724 | 213482 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | 35 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pEC50 | = | 9 | 9.0 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
137657064 | 159735 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4103628 | 159735 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137639719 | 156878 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 1823 | 57 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4070864 | 156878 | None | 0 | Human | Functional | pEC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 1823 | 57 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
172440190 | 195396 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 512 | 2 | ChEMBL | 4217 | 130 | 63 | 56 | -15.1 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(N)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2022.115036 | |||
CHEMBL5402820 | 195396 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | 512 | 2 | ChEMBL | 4217 | 130 | 63 | 56 | -15.1 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(N)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2022.115036 | |||
162647494 | 180074 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 4764 | 143 | 65 | 66 | -14.5 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4746748 | 180074 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 4764 | 143 | 65 | 66 | -14.5 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | |||
162656752 | 181026 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 5065 | 154 | 69 | 69 | -13.7 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4757910 | 181026 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 5065 | 154 | 69 | 69 | -13.7 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||||
137646917 | 157780 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4081767 | 157780 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL3099724 | 213482 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | 35 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
137640909 | 157125 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1809 | 57 | 29 | 23 | -6.5 | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4073606 | 157125 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1809 | 57 | 29 | 23 | -6.5 | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137643148 | 158166 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4086266 | 158166 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
162666880 | 182598 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 4011 | 126 | 62 | 57 | -17.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4786848 | 182598 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 4011 | 126 | 62 | 57 | -17.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4277590 | 215834 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290445 | 215956 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 100 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3578015 | 214226 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 33 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL4277590 | 215834 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290445 | 215956 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 100 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.ejmech.2022.115036 | |||||
137636973 | 156308 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4064467 | 156308 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL3578015 | 214226 | None | 0 | Human | Functional | pEC50 | = | 8.8 | 8.8 | 33 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
162676875 | 183678 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 1995 | 2 | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4800389 | 183678 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 1995 | 2 | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
137634108 | 156422 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065752 | 156422 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4284905 | 215911 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -10 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294418 | 215992 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 199 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3578018 | 214229 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 15 | 2 | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL4287058 | 215928 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | 63 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294277 | 215991 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | 5 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
44439567 | 168793 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936048 | 168793 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL436630 | 168793 | None | 0 | Human | Functional | pEC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
162654606 | 180724 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 4053 | 128 | 62 | 57 | -17.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4754673 | 180724 | None | 0 | Human | Functional | pEC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 4053 | 128 | 62 | 57 | -17.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
1192552 | 22120 | None | 9 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -4 | 4 | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | |||
CHEMBL1322039 | 22120 | None | 9 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -4 | 4 | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | |||
7066599 | 44507 | None | 7 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 293 | 3 | 1 | 4 | 4.5 | Fc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1 | nan | |||
CHEMBL1519263 | 44507 | None | 7 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 293 | 3 | 1 | 4 | 4.5 | Fc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1 | nan | |||
CHEMBL429005 | 215952 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL238533 | 212852 | None | 0 | Human | Functional | pEC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
9665691 | 109149 | None | 1 | Human | Functional | pEC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 273 | 2 | 1 | 4 | 3.5 | Fc1ccc2c(c1)/C(=N/Nc1ccccn1)CCS2 | nan | |||
CHEMBL3213319 | 109149 | None | 1 | Human | Functional | pEC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 273 | 2 | 1 | 4 | 3.5 | Fc1ccc2c(c1)/C(=N/Nc1ccccn1)CCS2 | nan | |||
4055293 | 55115 | None | 5 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | |||
CHEMBL1366987 | 55115 | None | 5 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | |||
CHEMBL1616832 | 55115 | None | 5 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 392 | 2 | 0 | 2 | 6.1 | Cc1sc2cc3c(c(C(=O)c4ccccc4)[n+]2c1C)-c1cccc2cccc-3c12 | nan | |||
CHEMBL413871 | 215553 | None | 0 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -5 | 2 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL4286615 | 215925 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -81 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
3260593 | 117132 | None | 7 | Human | Functional | pEC50 | = | 4.9 | 4.9 | 1 | 2 | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | |||
CHEMBL3392057 | 117132 | None | 7 | Human | Functional | pEC50 | = | 4.9 | 4.9 | 1 | 2 | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | |||
708088 | 21189 | None | 7 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 328 | 4 | 1 | 5 | 3.6 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 | nan | |||
CHEMBL1312767 | 21189 | None | 7 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 328 | 4 | 1 | 5 | 3.6 | Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1 | nan | |||
135469963 | 109158 | None | 4 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | O=C(/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F)c1ccc(Br)cc1 | nan | |||
CHEMBL3213459 | 109158 | None | 4 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 443 | 6 | 1 | 6 | 4.1 | O=C(/C(=N/Nc1cccc([N+](=O)[O-])c1)C(=O)C(F)(F)F)c1ccc(Br)cc1 | nan | |||
2919986 | 55304 | None | 5 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | |||
CHEMBL1342462 | 55304 | None | 5 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | |||
CHEMBL1618362 | 55304 | None | 5 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 387 | 8 | 1 | 7 | 2.2 | COc1ccc(N2CCN(CC(O)COc3ccccc3[N+](=O)[O-])CC2)cc1 | nan | |||
2836861 | 32443 | None | 4 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -2 | 2 | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | |||
CHEMBL1411397 | 32443 | None | 4 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -2 | 2 | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | |||
136217230 | 44541 | None | 1 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 442 | 6 | 1 | 9 | 3.7 | COc1ccc(Nc2oc(/C=C3/SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1 | nan | |||
CHEMBL1519588 | 44541 | None | 1 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 442 | 6 | 1 | 9 | 3.7 | COc1ccc(Nc2oc(/C=C3/SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1 | nan | |||
CHEMBL4286615 | 215925 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -81 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL269267 | 213243 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | -4 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
693933 | 47744 | None | 8 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -3 | 3 | ChEMBL | 327 | 3 | 1 | 3 | 3.9 | Nc1cc(-c2ccc(Br)cc2)nn1Cc1ccccc1 | nan | |||
CHEMBL1547757 | 47744 | None | 8 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -3 | 3 | ChEMBL | 327 | 3 | 1 | 3 | 3.9 | Nc1cc(-c2ccc(Br)cc2)nn1Cc1ccccc1 | nan | |||
1192552 | 22120 | None | 9 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -4 | 4 | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | |||
CHEMBL1322039 | 22120 | None | 9 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -4 | 4 | ChEMBL | 384 | 6 | 2 | 6 | 5.3 | CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1 | nan | |||
3235884 | 51365 | None | 2 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 466 | 8 | 3 | 9 | 1.7 | CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1 | nan | |||
CHEMBL1581332 | 51365 | None | 2 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 466 | 8 | 3 | 9 | 1.7 | CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1 | nan | |||
3244114 | 22910 | None | 2 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 431 | 8 | 2 | 5 | 3.6 | CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 | nan | |||
CHEMBL1329027 | 22910 | None | 2 | Human | Functional | pEC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 431 | 8 | 2 | 5 | 3.6 | CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 | nan | |||
162657544 | 181242 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 4236 | 113 | 62 | 59 | -16.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4760650 | 181242 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 4236 | 113 | 62 | 59 | -16.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
162664292 | 182329 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 4164 | 131 | 65 | 60 | -19.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4783238 | 182329 | None | 0 | Human | Functional | pEC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 4164 | 131 | 65 | 60 | -19.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
3237370 | 47832 | None | 4 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 366 | 8 | 1 | 4 | 3.3 | C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(C)cc2)CC1 | nan | |||
CHEMBL1548605 | 47832 | None | 4 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 366 | 8 | 1 | 4 | 3.3 | C=CCc1ccccc1OCC(O)CN1CCN(c2ccc(C)cc2)CC1 | nan | |||
162665176 | 182175 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 4277 | 94 | 62 | 59 | -15.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4781420 | 182175 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 4277 | 94 | 62 | 59 | -15.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4278700 | 215851 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -79 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
67275 | 47408 | None | 42 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 311 | 2 | 2 | 2 | 4.8 | Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O | nan | |||
CHEMBL1544847 | 47408 | None | 42 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 311 | 2 | 2 | 2 | 4.8 | Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O | nan | |||
3911588 | 51567 | None | 4 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 418 | 6 | 2 | 3 | 4.5 | O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 | nan | |||
CHEMBL1583097 | 51567 | None | 4 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 418 | 6 | 2 | 3 | 4.5 | O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 | nan | |||
CHEMBL4278700 | 215851 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | -79 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL393255 | 214926 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
162654757 | 180660 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 4346 | 116 | 65 | 62 | -19.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4753885 | 180660 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 4346 | 116 | 65 | 62 | -19.6 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
1786 | 2520 | None | 51 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -323 | 7 | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
4171 | 2520 | None | 51 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -323 | 7 | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
4171.0 | 2520 | None | 51 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -323 | 7 | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
553 | 2520 | None | 51 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -323 | 7 | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
CHEMBL13 | 2520 | None | 51 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -323 | 7 | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
DB00264 | 2520 | None | 51 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -323 | 7 | ChEMBL | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | nan | |||
3117655 | 39360 | None | 2 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 322 | 4 | 1 | 5 | 3.3 | CC1=NC(=O)C(N=Nc2ccccc2C(=O)O)N1c1ccccc1 | nan | |||
CHEMBL1471202 | 39360 | None | 2 | Human | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 322 | 4 | 1 | 5 | 3.3 | CC1=NC(=O)C(N=Nc2ccccc2C(=O)O)N1c1ccccc1 | nan | |||
162653816 | 180589 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 3961 | 126 | 61 | 56 | -17.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4753050 | 180589 | None | 0 | Human | Functional | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 3961 | 126 | 61 | 56 | -17.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
2191297 | 43171 | None | 6 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 408 | 7 | 0 | 8 | 3.3 | C=CCN1C(=O)/C(=C/c2ccc(OC(C)=O)c(OCC)c2[N+](=O)[O-])SC1=S | nan | |||
CHEMBL1505552 | 43171 | None | 6 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 408 | 7 | 0 | 8 | 3.3 | C=CCN1C(=O)/C(=C/c2ccc(OC(C)=O)c(OCC)c2[N+](=O)[O-])SC1=S | nan | |||
44439571 | 161281 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936055 | 161281 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL411766 | 161281 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
162661854 | 181974 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 3977 | 127 | 62 | 57 | -19.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4778796 | 181974 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 3977 | 127 | 62 | 57 | -19.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
135521591 | 72205 | None | 2 | Human | Functional | pEC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 391 | 6 | 3 | 9 | 2.8 | COCC/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | |||
CHEMBL1979957 | 72205 | None | 2 | Human | Functional | pEC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 391 | 6 | 3 | 9 | 2.8 | COCC/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | |||
2945839 | 30483 | None | 10 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 487 | 8 | 2 | 8 | 3.5 | COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1 | nan | |||
CHEMBL1392858 | 30483 | None | 10 | Human | Functional | pEC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 487 | 8 | 2 | 8 | 3.5 | COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1 | nan | |||
CHEMBL4284905 | 215911 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | -10 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294418 | 215992 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 199 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
137639723 | 156931 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4071371 | 156931 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137660151 | 159155 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4097131 | 159155 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL3578018 | 214229 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 15 | 2 | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL4205282 | 215709 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL3099722 | 213480 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | 79 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
162672307 | 183055 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 4722 | 142 | 65 | 66 | -15.4 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4792837 | 183055 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 4722 | 142 | 65 | 66 | -15.4 | CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CCOCCOCCNC(=O)[C@@H]1CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)CSCC(=O)N1 | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4279973 | 215862 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -12 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
137637445 | 155894 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1859 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4059729 | 155894 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1859 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137642856 | 158549 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1842 | 59 | 29 | 23 | -5.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4090636 | 158549 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1842 | 59 | 29 | 23 | -5.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4279973 | 215862 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -12 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
162660800 | 181387 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 4316 | 115 | 64 | 61 | -18.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4762187 | 181387 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 4316 | 115 | 64 | 61 | -18.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
172466775 | 196582 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 4134 | 129 | 61 | 56 | -15.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.ejmech.2022.115036 | |||
CHEMBL5427254 | 196582 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 4134 | 129 | 61 | 56 | -15.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.ejmech.2022.115036 | |||
162665152 | 182309 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 4333 | 137 | 66 | 61 | -17.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4782960 | 182309 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 4333 | 137 | 66 | 61 | -17.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
4612059 | 40771 | None | 4 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 569 | 8 | 3 | 7 | 4.8 | COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)O)c3ccccc3C2=O)c1 | nan | |||
CHEMBL1485064 | 40771 | None | 4 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 569 | 8 | 3 | 7 | 4.8 | COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)O)c3ccccc3C2=O)c1 | nan | |||
1799038 | 40485 | None | 8 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 355 | 4 | 2 | 3 | 4.9 | CC(=O)C(=Nc1ccc(Cl)cc1Cl)NNc1cccc(Cl)c1 | nan | |||
CHEMBL1482637 | 40485 | None | 8 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 355 | 4 | 2 | 3 | 4.9 | CC(=O)C(=Nc1ccc(Cl)cc1Cl)NNc1cccc(Cl)c1 | nan | |||
2167979 | 34824 | None | 8 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -3 | 3 | ChEMBL | 369 | 3 | 2 | 2 | 4.2 | O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 | nan | |||
CHEMBL1431189 | 34824 | None | 8 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -3 | 3 | ChEMBL | 369 | 3 | 2 | 2 | 4.2 | O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 | nan | |||
162656084 | 180809 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 4693 | 141 | 65 | 65 | -14.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4755581 | 180809 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 4693 | 141 | 65 | 65 | -14.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
162658668 | 181266 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 4263 | 105 | 62 | 59 | -16.2 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4760875 | 181266 | None | 0 | Human | Functional | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 4263 | 105 | 62 | 59 | -16.2 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/acs.jmedchem.0c00740 | |||
135521622 | 72415 | None | 2 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -2 | 2 | ChEMBL | 375 | 4 | 3 | 8 | 3.6 | CC(C)/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | |||
CHEMBL1986557 | 72415 | None | 2 | Human | Functional | pEC50 | = | 4.7 | 4.7 | -2 | 2 | ChEMBL | 375 | 4 | 3 | 8 | 3.6 | CC(C)/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | |||
3641052 | 48987 | None | 1 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 375 | 4 | 0 | 8 | 3.1 | CCn1nc([N+](=O)[O-])c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O | nan | |||
CHEMBL1560379 | 48987 | None | 1 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 375 | 4 | 0 | 8 | 3.1 | CCn1nc([N+](=O)[O-])c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O | nan | |||
CHEMBL3099725 | 213483 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)O[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
162676531 | 183652 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 4083 | 129 | 63 | 58 | -17.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4800143 | 183652 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 4083 | 129 | 63 | 58 | -17.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
2836861 | 32443 | None | 4 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 2 | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | |||
CHEMBL1411397 | 32443 | None | 4 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 2 | ChEMBL | 368 | 9 | 1 | 4 | 3.9 | CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(N(CC)CC)cc1 | nan | |||
CHEMBL268200 | 213201 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
135521622 | 72415 | None | 2 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 2 | ChEMBL | 375 | 4 | 3 | 8 | 3.6 | CC(C)/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | |||
CHEMBL1986557 | 72415 | None | 2 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 2 | ChEMBL | 375 | 4 | 3 | 8 | 3.6 | CC(C)/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O | nan | |||
682797 | 49875 | None | 14 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 316 | 3 | 2 | 4 | 4.2 | Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21 | nan | |||
CHEMBL1567983 | 49875 | None | 14 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 316 | 3 | 2 | 4 | 4.2 | Oc1ccccc1Cn1c(-c2ccccc2O)nc2ccccc21 | nan | |||
CHEMBL4288294 | 215939 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4288294 | 215939 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
3431315 | 53651 | None | 3 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -1 | 2 | ChEMBL | 551 | 7 | 2 | 5 | 4.7 | O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 | nan | |||
CHEMBL1602800 | 53651 | None | 3 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -1 | 2 | ChEMBL | 551 | 7 | 2 | 5 | 4.7 | O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 | nan | |||
9700449 | 112719 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | |||
CHEMBL3192204 | 112719 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | |||
CHEMBL3303291 | 112719 | None | 0 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 356 | 10 | 2 | 5 | 4.4 | CCCOc1ccc(/C=N/Nc2ccc(C(=O)O)cc2)c(OCCC)c1 | nan | |||
1630995 | 50696 | None | 8 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 344 | 3 | 3 | 6 | 3.3 | O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1Nc1ccccc1 | nan | |||
CHEMBL1575649 | 50696 | None | 8 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 344 | 3 | 3 | 6 | 3.3 | O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1Nc1ccccc1 | nan | |||
CHEMBL392889 | 214920 | None | 0 | Human | Functional | pEC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
2741548 | 25238 | None | 2 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 347 | 4 | 0 | 5 | 3.4 | O=C(c1ccc(F)cc1F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 | nan | |||
CHEMBL1348298 | 25238 | None | 2 | Human | Functional | pEC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 347 | 4 | 0 | 5 | 3.4 | O=C(c1ccc(F)cc1F)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 | nan | |||
1326639 | 34892 | None | 6 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -1 | 3 | ChEMBL | 373 | 4 | 1 | 4 | 3.7 | O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
CHEMBL1431891 | 34892 | None | 6 | Human | Functional | pEC50 | = | 4.6 | 4.6 | -1 | 3 | ChEMBL | 373 | 4 | 1 | 4 | 3.7 | O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
56209 | 19501 | None | 20 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -2 | 3 | ChEMBL | 296 | 6 | 1 | 3 | 3.5 | CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21 | nan | |||
CHEMBL1299267 | 19501 | None | 20 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -2 | 3 | ChEMBL | 296 | 6 | 1 | 3 | 3.5 | CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21 | nan | |||
3260593 | 117132 | None | 7 | Human | Functional | pEC50 | = | 5.5 | 5.5 | 1 | 2 | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | |||
CHEMBL3392057 | 117132 | None | 7 | Human | Functional | pEC50 | = | 5.5 | 5.5 | 1 | 2 | ChEMBL | 434 | 2 | 0 | 4 | 6.1 | Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 | nan | |||
16216479 | 85558 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
91936049 | 85558 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
CHEMBL227456 | 85558 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
16216479 | 85558 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936049 | 85558 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL227456 | 85558 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439564 | 91820 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936057 | 91820 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL241105 | 91820 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439565 | 153077 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936058 | 153077 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL397528 | 153077 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439569 | 161278 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
91936061 | 161278 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL411765 | 161278 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
162657518 | 181217 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 4151 | 109 | 59 | 58 | -15.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4760247 | 181217 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 4151 | 109 | 59 | 58 | -15.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
137650904 | 157308 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4076091 | 157308 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
162677236 | 183613 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 4735 | 142 | 65 | 65 | -13.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4799727 | 183613 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 4735 | 142 | 65 | 65 | -13.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL3578017 | 214228 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 3 | 2 | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578017 | 214228 | None | 0 | Human | Functional | pEC50 | = | 8.5 | 8.5 | 3 | 2 | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3099727 | 213485 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 30 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
162660890 | 181503 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 5078 | 155 | 69 | 69 | -13.1 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4763563 | 181503 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 5078 | 155 | 69 | 69 | -13.1 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
137651435 | 157383 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4076934 | 157383 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137634335 | 156475 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4066409 | 156475 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL3578016 | 214227 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 15 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578016 | 214227 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 15 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
2816767 | 19910 | None | 3 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -1 | 3 | ChEMBL | 356 | 3 | 2 | 6 | 5.1 | Nc1sc(-c2ccccc2)cc1-c1nnc(S)n1C1CCCCC1 | nan | |||
CHEMBL1302519 | 19910 | None | 3 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -1 | 3 | ChEMBL | 356 | 3 | 2 | 6 | 5.1 | Nc1sc(-c2ccccc2)cc1-c1nnc(S)n1C1CCCCC1 | nan | |||
CHEMBL411793 | 215416 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1016/j.bmcl.2006.10.007 | |||||
570353 | 43078 | None | 4 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -120 | 4 | ChEMBL | 464 | 5 | 2 | 6 | 4.9 | O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 | nan | |||
CHEMBL1504701 | 43078 | None | 4 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -120 | 4 | ChEMBL | 464 | 5 | 2 | 6 | 4.9 | O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 | nan | |||
162676301 | 183352 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 4349 | 98 | 63 | 60 | -15.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4796368 | 183352 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 4349 | 98 | 63 | 60 | -15.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSCC(=O)NCCCCCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
1636339 | 44350 | None | 12 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -3 | 3 | ChEMBL | 452 | 2 | 0 | 7 | 6.2 | Cc1cc2c(cc1C)N(C(=O)CSC1=NCCS1)C(C)(C)c1ssc(=S)c1-2 | nan | |||
CHEMBL1517881 | 44350 | None | 12 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -3 | 3 | ChEMBL | 452 | 2 | 0 | 7 | 6.2 | Cc1cc2c(cc1C)N(C(=O)CSC1=NCCS1)C(C)(C)c1ssc(=S)c1-2 | nan | |||
CHEMBL234198 | 211995 | None | 0 | Human | Functional | pEC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
2985425 | 55868 | None | 8 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -1 | 2 | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | |||
CHEMBL1538646 | 55868 | None | 8 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -1 | 2 | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | |||
CHEMBL1623239 | 55868 | None | 8 | Human | Functional | pEC50 | = | 4.5 | 4.5 | -1 | 2 | ChEMBL | 263 | 5 | 1 | 3 | 2.5 | Cc1ccccc1OCC(O)CN1CCC(C)CC1 | nan | |||
653127 | 55120 | None | 7 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 4 | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | |||
CHEMBL1366633 | 55120 | None | 7 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 4 | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | |||
CHEMBL1454903 | 55120 | None | 7 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 4 | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | |||
CHEMBL1616892 | 55120 | None | 7 | Human | Functional | pEC50 | = | 5.5 | 5.5 | -1 | 4 | ChEMBL | 275 | 1 | 1 | 3 | 3.8 | Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1 | nan | |||
16192803 | 47913 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | |||
CHEMBL1549309 | 47913 | None | 0 | Human | Functional | pEC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | |||
44422859 | 168885 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
91971091 | 168885 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
CHEMBL437487 | 168885 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
44439568 | 97082 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
91936060 | 97082 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL266814 | 97082 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
162656381 | 181058 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 4145 | 111 | 62 | 59 | -19.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4758343 | 181058 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 4145 | 111 | 62 | 59 | -19.4 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
137641883 | 158431 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1641 | 52 | 25 | 19 | -3.0 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4089420 | 158431 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1641 | 52 | 25 | 19 | -3.0 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
162644761 | 179514 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 4332 | 115 | 65 | 62 | -20.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4740094 | 179514 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 4332 | 115 | 65 | 62 | -20.0 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
162656295 | 181052 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 4501 | 123 | 66 | 63 | -18.1 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4758230 | 181052 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 4501 | 123 | 66 | 63 | -18.1 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
137632601 | 156428 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1824 | 57 | 29 | 24 | -8.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065791 | 156428 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1824 | 57 | 29 | 24 | -8.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137635909 | 156045 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1675 | 52 | 25 | 19 | -2.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4061266 | 156045 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1675 | 52 | 25 | 19 | -2.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137635521 | 156227 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1884 | 60 | 29 | 23 | -5.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4063520 | 156227 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1884 | 60 | 29 | 23 | -5.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
162660800 | 181387 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4316 | 115 | 64 | 61 | -18.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4762187 | 181387 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4316 | 115 | 64 | 61 | -18.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
162656632 | 181041 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 5008 | 155 | 68 | 69 | -13.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4758123 | 181041 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 5008 | 155 | 68 | 69 | -13.8 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL2324952 | 211988 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N(C(=O)CCCCCN)C(=O)[C@]1(C)CCC/C=C\CCC[C@](C)(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2012.10.026 | |||||
CHEMBL397527 | 214967 | None | 0 | Human | Functional | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
162669445 | 182821 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 4966 | 154 | 68 | 69 | -14.6 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4789614 | 182821 | None | 0 | Human | Functional | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 4966 | 154 | 68 | 69 | -14.6 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCC[C@@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4277676 | 215836 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 31 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282168 | 215890 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 158 | 2 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283257 | 215898 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 158 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
162669674 | 182772 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 5149 | 157 | 69 | 70 | -13.6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4789020 | 182772 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 5149 | 157 | 69 | 70 | -13.6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
162664681 | 182307 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4064 | 131 | 63 | 58 | -19.4 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4782903 | 182307 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4064 | 131 | 63 | 58 | -19.4 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
162669097 | 182698 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4232 | 115 | 63 | 60 | -19.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4788084 | 182698 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4232 | 115 | 63 | 60 | -19.8 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCC(=O)NCCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4277676 | 215836 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 31 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282168 | 215890 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 158 | 2 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283257 | 215898 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | 158 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
137648110 | 157782 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4081798 | 157782 | None | 0 | Human | Functional | pEC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
16192803 | 47913 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | |||
CHEMBL1549309 | 47913 | None | 0 | Human | Functional | pEC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 413 | 2 | 2 | 5 | 5.0 | Cc1cccc2c(N)c3c(nc12)CCCC3.O=C(O)c1cc([N+](=O)[O-])ccc1Cl | nan | |||
44439566 | 168863 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936059 | 168863 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL437290 | 168863 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL428017 | 215863 | None | 18 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
162660652 | 181405 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 4151 | 111 | 62 | 59 | -19.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4762366 | 181405 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 4151 | 111 | 62 | 59 | -19.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
162669365 | 182872 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 4053 | 128 | 62 | 57 | -17.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4790236 | 182872 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 4053 | 128 | 62 | 57 | -17.0 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
137649292 | 157346 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1726 | 55 | 26 | 20 | -3.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4076542 | 157346 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1726 | 55 | 26 | 20 | -3.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
162670263 | 182763 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 4178 | 132 | 65 | 60 | -19.2 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4788908 | 182763 | None | 0 | Human | Functional | pEC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 4178 | 132 | 65 | 60 | -19.2 | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL3099723 | 213481 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 2 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
3562031 | 50389 | None | 12 | Human | Functional | pEC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 445 | 4 | 2 | 3 | 4.1 | O=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | nan | |||
CHEMBL1572588 | 50389 | None | 12 | Human | Functional | pEC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 445 | 4 | 2 | 3 | 4.1 | O=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | nan | |||
2405497 | 28391 | None | 4 | Human | Functional | pEC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 431 | 5 | 2 | 5 | 5.9 | Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 | nan | |||
CHEMBL1374954 | 28391 | None | 4 | Human | Functional | pEC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 431 | 5 | 2 | 5 | 5.9 | Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 | nan | |||
162663460 | 182042 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 3960 | 125 | 59 | 56 | -16.2 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4779809 | 182042 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 3960 | 125 | 59 | 56 | -16.2 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
1078087 | 28133 | None | 30 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 220 | 2 | 2 | 3 | 2.1 | Cc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12 | nan | |||
CHEMBL1373205 | 28133 | None | 30 | Human | Functional | pEC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 220 | 2 | 2 | 3 | 2.1 | Cc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12 | nan | |||
162643447 | 181792 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 5079 | 157 | 68 | 70 | -14.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4776525 | 181792 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 5079 | 157 | 68 | 70 | -14.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC(=O)NCCN(C(=O)CCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4280392 | 215867 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 25 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281010 | 215874 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 63 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4285633 | 215918 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 6 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4280392 | 215867 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 25 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281010 | 215874 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 63 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4285633 | 215918 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | 6 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
162643914 | 181868 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 3983 | 125 | 59 | 56 | -15.1 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4777617 | 181868 | None | 0 | Human | Functional | pEC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 3983 | 125 | 59 | 56 | -15.1 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
2185441 | 19837 | None | 7 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 443 | 6 | 2 | 7 | 5.2 | CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccc(N)cc1 | nan | |||
CHEMBL1301994 | 19837 | None | 7 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 443 | 6 | 2 | 7 | 5.2 | CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)nnc1-c1ccc(N)cc1 | nan | |||
162654961 | 180733 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 4011 | 126 | 62 | 57 | -17.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4754791 | 180733 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 4011 | 126 | 62 | 57 | -17.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
162656239 | 180932 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 3984 | 125 | 60 | 57 | -17.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4756925 | 180932 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 3984 | 125 | 60 | 57 | -17.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | |||
162665854 | 182347 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 4194 | 101 | 60 | 59 | -16.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4783505 | 182347 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 4194 | 101 | 60 | 59 | -16.5 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSCC(=O)NCCCCCCCNC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
162673369 | 183117 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 4165 | 111 | 62 | 59 | -18.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL4793702 | 183117 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 4165 | 111 | 62 | 59 | -18.7 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CSCC(=O)NCCCNC(=O)CSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c00740 | |||
CHEMBL3099726 | 213484 | None | 0 | Human | Functional | pEC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | |||||
44439570 | 153079 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936054 | 153079 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL397529 | 153079 | None | 0 | Human | Functional | pEC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
2803877 | 21041 | None | 2 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | |||
CHEMBL1311742 | 21041 | None | 2 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | |||
2803877 | 21041 | None | 2 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | |||
CHEMBL1311742 | 21041 | None | 2 | Human | Functional | pEC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 497 | 7 | 3 | 6 | 5.6 | O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN=C(S)Nc1ccc(Cl)c(Cl)c1 | nan | |||
1206899 | 50520 | None | 12 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 174 | 1 | 2 | 5 | 1.0 | N#Cc1c(Cl)nsc1NN | nan | |||
CHEMBL1573719 | 50520 | None | 12 | Human | Functional | pEC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 174 | 1 | 2 | 5 | 1.0 | N#Cc1c(Cl)nsc1NN | nan | |||
CHEMBL2110365 | 211672 | None | 1 | Human | Functional | pEC50 | = | 6.0 | 6.0 | -102 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||||
5710119 | 108059 | None | 9 | Human | Functional | pEC50 | = | 5 | 5.0 | -1 | 3 | ChEMBL | 283 | 4 | 1 | 4 | 3.5 | N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccccc1 | nan | |||
CHEMBL3194195 | 108059 | None | 9 | Human | Functional | pEC50 | = | 5 | 5.0 | -1 | 3 | ChEMBL | 283 | 4 | 1 | 4 | 3.5 | N#C/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccccc1 | nan | |||
162651924 | 180461 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | -20 | 4 | ChEMBL | 5195 | 171 | 80 | 72 | -22.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
CHEMBL4751466 | 180461 | None | 0 | Human | Functional | pIC50 | = | 8 | 8.0 | -20 | 4 | ChEMBL | 5195 | 171 | 80 | 72 | -22.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
10324083 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2003.12.057 | |||
3504 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21283 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2003.12.057 | |||
972422 | 53712 | None | 6 | Human | Functional | pIC50 | = | 5 | 5.0 | -1 | 2 | ChEMBL | 314 | 3 | 2 | 3 | 3.9 | Cc1ccc(NC(S)=NCc2ccc3c(c2)OCO3)cc1C | nan | |||
CHEMBL1603366 | 53712 | None | 6 | Human | Functional | pIC50 | = | 5 | 5.0 | -1 | 2 | ChEMBL | 314 | 3 | 2 | 3 | 3.9 | Cc1ccc(NC(S)=NCc2ccc3c(c2)OCO3)cc1C | nan | |||
2744454 | 36330 | None | 13 | Human | Functional | pIC50 | = | 5 | 5.0 | -1 | 3 | ChEMBL | 314 | 3 | 1 | 3 | 4.7 | O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 | nan | |||
CHEMBL1446166 | 36330 | None | 13 | Human | Functional | pIC50 | = | 5 | 5.0 | -1 | 3 | ChEMBL | 314 | 3 | 1 | 3 | 4.7 | O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1 | nan | |||
2311088 | 55666 | None | 2 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -2 | 3 | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | |||
CHEMBL1457690 | 55666 | None | 2 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -2 | 3 | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | |||
CHEMBL1621585 | 55666 | None | 2 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -2 | 3 | ChEMBL | 387 | 3 | 0 | 2 | 5.2 | COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)cc1 | nan | |||
4896972 | 24463 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 457 | 5 | 1 | 6 | 4.6 | Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1 | nan | |||
CHEMBL1341841 | 24463 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 457 | 5 | 1 | 6 | 4.6 | Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC(C)c1ccccc1 | nan | |||
70694148 | 74663 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 486 | 5 | 2 | 3 | 5.9 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2029961 | 74663 | None | 0 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 486 | 5 | 2 | 3 | 5.9 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
1504749 | 29373 | None | 8 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 308 | 4 | 1 | 6 | 2.5 | Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1 | nan | |||
CHEMBL1383610 | 29373 | None | 8 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 308 | 4 | 1 | 6 | 2.5 | Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1 | nan | |||
1490113 | 31968 | None | 12 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 446 | 4 | 0 | 4 | 5.6 | Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl | nan | |||
CHEMBL1407634 | 31968 | None | 12 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 446 | 4 | 0 | 4 | 5.6 | Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl | nan | |||
2936750 | 27711 | None | 7 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 432 | 5 | 2 | 3 | 5.0 | COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL1370218 | 27711 | None | 7 | Human | Functional | pIC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | 432 | 5 | 2 | 3 | 5.0 | COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
972410 | 55665 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | |||
CHEMBL1458887 | 55665 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | |||
CHEMBL1621543 | 55665 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 325 | 4 | 1 | 2 | 4.7 | CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1 | nan | |||
2313223 | 55934 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | |||
CHEMBL1525599 | 55934 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | |||
CHEMBL1623694 | 55934 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 353 | 3 | 0 | 2 | 4.5 | COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2 | nan | |||
70696288 | 74690 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 535 | 6 | 2 | 4 | 4.8 | O=S(=O)(c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCC1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030157 | 74690 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 535 | 6 | 2 | 4 | 4.8 | O=S(=O)(c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCC1 | 10.1016/j.bmcl.2012.04.107 | |||
66561565 | 74712 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 522 | 8 | 1 | 5 | 4.9 | CCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030189 | 74712 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 522 | 8 | 1 | 5 | 4.9 | CCN(CC)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
3236979 | 31574 | None | 7 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL1404069 | 31574 | None | 7 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | 10.1016/j.bmcl.2013.11.061 | |||
3236979 | 31574 | None | 7 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL1404069 | 31574 | None | 7 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | 10.1016/j.bmcl.2012.04.107 | |||
70683658 | 74551 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 471 | 5 | 2 | 3 | 5.6 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCC3)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2029356 | 74551 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 471 | 5 | 2 | 3 | 5.6 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCC3)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
2182602 | 55736 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | |||
CHEMBL1483730 | 55736 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | |||
CHEMBL1622175 | 55736 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 361 | 8 | 0 | 2 | 5.0 | Cc1ccc(OCCCCN(C)Cc2ccccc2)c(Br)c1 | nan | |||
70687925 | 74691 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 509 | 7 | 3 | 4 | 4.3 | CCNS(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030158 | 74691 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 509 | 7 | 3 | 4 | 4.3 | CCNS(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
1460705 | 55521 | None | 1 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | |||
CHEMBL1414494 | 55521 | None | 1 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | |||
CHEMBL1620238 | 55521 | None | 1 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 326 | 3 | 1 | 2 | 4.4 | CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc21 | nan | |||
3361119 | 51187 | None | 9 | Human | Functional | pIC50 | = | 4.9 | 4.9 | 2 | 2 | ChEMBL | 378 | 3 | 0 | 4 | 4.1 | Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 | nan | |||
CHEMBL1579872 | 51187 | None | 9 | Human | Functional | pIC50 | = | 4.9 | 4.9 | 2 | 2 | ChEMBL | 378 | 3 | 0 | 4 | 4.1 | Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 | nan | |||
9550576 | 30571 | None | 5 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -2 | 3 | ChEMBL | 458 | 8 | 1 | 5 | 3.6 | Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCN(c2cccc(C)c2C)CC1 | nan | |||
CHEMBL1393538 | 30571 | None | 5 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -2 | 3 | ChEMBL | 458 | 8 | 1 | 5 | 3.6 | Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCN(c2cccc(C)c2C)CC1 | nan | |||
11958626 | 30283 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | 1 | 2 | ChEMBL | 352 | 8 | 2 | 5 | 3.3 | CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O | nan | |||
CHEMBL1391119 | 30283 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | 1 | 2 | ChEMBL | 352 | 8 | 2 | 5 | 3.3 | CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O | nan | |||
70685806 | 74699 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 464 | 6 | 2 | 3 | 5.6 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030169 | 74699 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 464 | 6 | 2 | 3 | 5.6 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2012.04.107 | |||
70681546 | 74689 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 537 | 8 | 2 | 4 | 5.1 | CCN(CC)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030156 | 74689 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 537 | 8 | 2 | 4 | 5.1 | CCN(CC)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
650606 | 49287 | None | 8 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 4 | ChEMBL | 481 | 8 | 1 | 7 | 4.1 | O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1 | nan | |||
CHEMBL1563162 | 49287 | None | 8 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 4 | ChEMBL | 481 | 8 | 1 | 7 | 4.1 | O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1 | nan | |||
44517723 | 195489 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -5 | 2 | ChEMBL | 581 | 8 | 1 | 4 | 6.0 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | |||
CHEMBL540466 | 195489 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | -5 | 2 | ChEMBL | 581 | 8 | 1 | 4 | 6.0 | COc1ccc([C@H](N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)F)cc1 | 10.1016/j.bmcl.2009.06.050 | |||
70692113 | 74715 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 465 | 5 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030191 | 74715 | None | 0 | Human | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 465 | 5 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
1780041 | 28701 | None | 11 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 338 | 6 | 0 | 6 | 4.0 | Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 | nan | |||
CHEMBL1377743 | 28701 | None | 11 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 338 | 6 | 0 | 6 | 4.0 | Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 | nan | |||
70696286 | 74684 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 459 | 5 | 3 | 3 | 4.4 | CNC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030151 | 74684 | None | 0 | Human | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 459 | 5 | 3 | 3 | 4.4 | CNC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
1141823 | 28853 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -2 | 2 | ChEMBL | 422 | 6 | 2 | 4 | 4.8 | Cc1cccc(N=C(S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3nc2O)c1 | nan | |||
CHEMBL1379143 | 28853 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -2 | 2 | ChEMBL | 422 | 6 | 2 | 4 | 4.8 | Cc1cccc(N=C(S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3nc2O)c1 | nan | |||
659248 | 194480 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | |||
CHEMBL528708 | 194480 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | |||
CHEMBL530291 | 194480 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 258 | 5 | 1 | 2 | 3.5 | CCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 | nan | |||
1915932 | 25482 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | 1 | 2 | ChEMBL | 412 | 5 | 1 | 4 | 5.1 | CC(C)OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 | nan | |||
CHEMBL1350415 | 25482 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | 1 | 2 | ChEMBL | 412 | 5 | 1 | 4 | 5.1 | CC(C)OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 | nan | |||
1481087 | 29818 | None | 13 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 328 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccccc1)OCc1cc(-c2ccccc2Cl)on1 | nan | |||
CHEMBL1387309 | 29818 | None | 13 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 328 | 4 | 1 | 4 | 4.7 | O=C(Nc1ccccc1)OCc1cc(-c2ccccc2Cl)on1 | nan | |||
2940376 | 46723 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 496 | 10 | 1 | 8 | 4.0 | COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1 | nan | |||
CHEMBL1539256 | 46723 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 496 | 10 | 1 | 8 | 4.0 | COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1 | nan | |||
1505224 | 33357 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -3 | 3 | ChEMBL | 392 | 5 | 2 | 9 | 2.1 | COC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 | nan | |||
CHEMBL1419096 | 33357 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -3 | 3 | ChEMBL | 392 | 5 | 2 | 9 | 2.1 | COC(=O)c1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 | nan | |||
860841 | 35576 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 327 | 3 | 0 | 6 | 3.7 | Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | |||
CHEMBL1439255 | 35576 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 327 | 3 | 0 | 6 | 3.7 | Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | |||
2235311 | 43447 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 461 | 7 | 0 | 4 | 6.4 | O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Br)cc1 | nan | |||
CHEMBL1507807 | 43447 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 461 | 7 | 0 | 4 | 6.4 | O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Br)cc1 | nan | |||
4140078 | 25858 | None | 9 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 2 | 2 | ChEMBL | 377 | 4 | 0 | 4 | 4.6 | Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C | nan | |||
CHEMBL1353428 | 25858 | None | 9 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 2 | 2 | ChEMBL | 377 | 4 | 0 | 4 | 4.6 | Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C | nan | |||
70683662 | 74710 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 431 | 6 | 1 | 4 | 5.2 | CCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030187 | 74710 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 431 | 6 | 1 | 4 | 5.2 | CCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL439904 | 216315 | None | 12 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 53 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||||
714054 | 22747 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -2 | 4 | ChEMBL | 331 | 4 | 0 | 5 | 4.2 | N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1 | nan | |||
CHEMBL1327690 | 22747 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -2 | 4 | ChEMBL | 331 | 4 | 0 | 5 | 4.2 | N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCCCC1 | nan | |||
9651051 | 109175 | None | 5 | Human | Functional | pIC50 | = | 4.8 | 4.8 | 1 | 2 | ChEMBL | 334 | 7 | 1 | 6 | 2.1 | CCCCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 | nan | |||
CHEMBL3213775 | 109175 | None | 5 | Human | Functional | pIC50 | = | 4.8 | 4.8 | 1 | 2 | ChEMBL | 334 | 7 | 1 | 6 | 2.1 | CCCCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 | nan | |||
3340390 | 29599 | None | 6 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 6 | 3 | ChEMBL | 528 | 14 | 0 | 2 | 7.7 | O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | nan | |||
CHEMBL1385608 | 29599 | None | 6 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 6 | 3 | ChEMBL | 528 | 14 | 0 | 2 | 7.7 | O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | nan | |||
2085549 | 53443 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 357 | 5 | 0 | 7 | 5.2 | c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1 | nan | |||
CHEMBL1600727 | 53443 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 3 | ChEMBL | 357 | 5 | 0 | 7 | 5.2 | c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1 | nan | |||
2385257 | 41855 | None | 2 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -3 | 3 | ChEMBL | 444 | 7 | 1 | 5 | 5.9 | CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 | nan | |||
CHEMBL1493500 | 41855 | None | 2 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -3 | 3 | ChEMBL | 444 | 7 | 1 | 5 | 5.9 | CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 | nan | |||
667608 | 55114 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | |||
CHEMBL1364371 | 55114 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | |||
CHEMBL1616825 | 55114 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 299 | 4 | 0 | 3 | 4.3 | CN1CCC(Oc2ccccc2Sc2ccccc2)CC1 | nan | |||
70685785 | 74662 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 460 | 6 | 2 | 3 | 5.8 | CC(C)Oc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2029960 | 74662 | None | 0 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 460 | 6 | 2 | 3 | 5.8 | CC(C)Oc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
17312686 | 74679 | None | 1 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 470 | 4 | 2 | 2 | 6.1 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030146 | 74679 | None | 1 | Human | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 470 | 4 | 2 | 2 | 6.1 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
865459 | 25422 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 244 | 3 | 0 | 4 | 3.2 | CCSc1nc2ccc(OC)cc2cc1C#N | nan | |||
CHEMBL1349920 | 25422 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 244 | 3 | 0 | 4 | 3.2 | CCSc1nc2ccc(OC)cc2cc1C#N | nan | |||
162658382 | 181140 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 3 | ChEMBL | 5831 | 196 | 92 | 80 | -23.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
CHEMBL4759334 | 181140 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 3 | ChEMBL | 5831 | 196 | 92 | 80 | -23.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
1998473 | 29716 | None | 8 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -2 | 2 | ChEMBL | 313 | 6 | 0 | 4 | 3.7 | CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 | nan | |||
CHEMBL1386511 | 29716 | None | 8 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -2 | 2 | ChEMBL | 313 | 6 | 0 | 4 | 3.7 | CN(C)CCCSc1nc(-c2ccccc2)nc2c1CCC2 | nan | |||
2948077 | 24502 | None | 12 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -1 | 3 | ChEMBL | 327 | 4 | 0 | 6 | 3.6 | O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2 | nan | |||
CHEMBL1342128 | 24502 | None | 12 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -1 | 3 | ChEMBL | 327 | 4 | 0 | 6 | 3.6 | O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2 | nan | |||
66561564 | 74688 | None | 32 | Human | Functional | pIC50 | = | 7.7 | 7.7 | 301 | 2 | ChEMBL | 509 | 6 | 2 | 4 | 4.3 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030155 | 74688 | None | 32 | Human | Functional | pIC50 | = | 7.7 | 7.7 | 301 | 2 | ChEMBL | 509 | 6 | 2 | 4 | 4.3 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
2936384 | 47205 | None | 32 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL1543306 | 47205 | None | 32 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2013.11.061 | |||
2936384 | 47205 | None | 32 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL1543306 | 47205 | None | 32 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
4876785 | 43864 | None | 4 | Human | Functional | pIC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 442 | 5 | 2 | 7 | 2.8 | COc1ccc(NC(=O)c2nnc(O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 | nan | |||
CHEMBL1511420 | 43864 | None | 4 | Human | Functional | pIC50 | = | 4.7 | 4.7 | 1 | 2 | ChEMBL | 442 | 5 | 2 | 7 | 2.8 | COc1ccc(NC(=O)c2nnc(O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 | nan | |||
2169010 | 51894 | None | 8 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 4 | 2 | ChEMBL | 377 | 10 | 1 | 4 | 4.6 | COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1 | nan | |||
CHEMBL1585652 | 51894 | None | 8 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 4 | 2 | ChEMBL | 377 | 10 | 1 | 4 | 4.6 | COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1 | nan | |||
2015090 | 21025 | None | 14 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 394 | 4 | 1 | 4 | 4.5 | CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1 | nan | |||
CHEMBL1311646 | 21025 | None | 14 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 394 | 4 | 1 | 4 | 4.5 | CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1 | nan | |||
70696287 | 74685 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 473 | 6 | 3 | 3 | 4.8 | CCNC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030152 | 74685 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 473 | 6 | 3 | 3 | 4.8 | CCNC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
2945439 | 74683 | None | 7 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 474 | 6 | 2 | 4 | 5.2 | CCOC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030150 | 74683 | None | 7 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 474 | 6 | 2 | 4 | 5.2 | CCOC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
70687929 | 74717 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 486 | 7 | 1 | 4 | 5.3 | CCN(CC)C(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030193 | 74717 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 486 | 7 | 1 | 4 | 5.3 | CCN(CC)C(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
2936384 | 47205 | None | 32 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
CHEMBL1543306 | 47205 | None | 32 | Human | Functional | pIC50 | = | 6.7 | 6.7 | - | 1 | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
1618379 | 30126 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 378 | 2 | 3 | 3 | 4.2 | Cc1ccc(N=C(S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 | nan | |||
5554096 | 30126 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 378 | 2 | 3 | 3 | 4.2 | Cc1ccc(N=C(S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 | nan | |||
CHEMBL1389702 | 30126 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 378 | 2 | 3 | 3 | 4.2 | Cc1ccc(N=C(S)N=C(N)Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 | nan | |||
70687926 | 74694 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 474 | 6 | 2 | 4 | 5.2 | CCOC(=O)c1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030161 | 74694 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 474 | 6 | 2 | 4 | 5.2 | CCOC(=O)c1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2012.04.107 | |||
652510 | 56211 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -30 | 3 | ChEMBL | 386 | 6 | 0 | 6 | 3.8 | CC(C)CC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 | nan | |||
CHEMBL1609320 | 56211 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -30 | 3 | ChEMBL | 386 | 6 | 0 | 6 | 3.8 | CC(C)CC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 | nan | |||
CHEMBL1626306 | 56211 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -30 | 3 | ChEMBL | 386 | 6 | 0 | 6 | 3.8 | CC(C)CC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 | nan | |||
70681552 | 74705 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 515 | 6 | 2 | 5 | 4.3 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccsc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030180 | 74705 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 515 | 6 | 2 | 5 | 4.3 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccsc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
162653062 | 180517 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 2 | ChEMBL | 6186 | 203 | 96 | 84 | -24.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
CHEMBL4752195 | 180517 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 2 | ChEMBL | 6186 | 203 | 96 | 84 | -24.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
11958496 | 48000 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 390 | 7 | 2 | 6 | 3.2 | Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(=O)O)c1 | nan | |||
CHEMBL1550015 | 48000 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 390 | 7 | 2 | 6 | 3.2 | Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(=O)O)c1 | nan | |||
70687928 | 74709 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 417 | 5 | 1 | 4 | 4.8 | COc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030186 | 74709 | None | 0 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 417 | 5 | 1 | 4 | 4.8 | COc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
70683659 | 74682 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 485 | 5 | 2 | 3 | 6.0 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCCC3)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030149 | 74682 | None | 0 | Human | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 485 | 5 | 2 | 3 | 6.0 | OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccc(N3CCCCC3)cc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
5290139 | 22974 | None | 9 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 2 | 2 | ChEMBL | 496 | 11 | 2 | 10 | 4.6 | CCOC(=O)CCCCC(=O)c1[nH]c(O)nc1CSc1nnc2c3ccccc3n(C(C)C)c2n1 | nan | |||
CHEMBL1329549 | 22974 | None | 9 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 2 | 2 | ChEMBL | 496 | 11 | 2 | 10 | 4.6 | CCOC(=O)CCCCC(=O)c1[nH]c(O)nc1CSc1nnc2c3ccccc3n(C(C)C)c2n1 | nan | |||
4525145 | 55654 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -72 | 3 | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | |||
6140197 | 55654 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -72 | 3 | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | |||
73945770 | 55654 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -72 | 3 | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | |||
CHEMBL1462215 | 55654 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -72 | 3 | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | |||
CHEMBL1621471 | 55654 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -72 | 3 | ChEMBL | 365 | 3 | 0 | 3 | 5.5 | CC[n+]1c(/C=C2\SC(c3ccccc3C)=CN2C)sc2ccccc21 | nan | |||
2223246 | 34394 | None | 27 | Human | Functional | pIC50 | = | 6.5 | 6.5 | 7 | 2 | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | nan | |||
CHEMBL1427860 | 34394 | None | 27 | Human | Functional | pIC50 | = | 6.5 | 6.5 | 7 | 2 | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | nan | |||
71719108 | 86085 | None | 1 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL2307889 | 86085 | None | 1 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2009.06.035 | |||
70681545 | 74686 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 473 | 5 | 2 | 3 | 4.7 | CN(C)C(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030153 | 74686 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 473 | 5 | 2 | 3 | 4.7 | CN(C)C(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
3849628 | 108463 | None | 11 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -1 | 2 | ChEMBL | 377 | 7 | 1 | 7 | 3.9 | CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccc(Cl)cc1)=C(\O)OCC | nan | |||
CHEMBL3198593 | 108463 | None | 11 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -1 | 2 | ChEMBL | 377 | 7 | 1 | 7 | 3.9 | CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccc(Cl)cc1)=C(\O)OCC | nan | |||
5806576 | 34522 | None | 5 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 4 | ChEMBL | 373 | 4 | 0 | 5 | 4.8 | N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(Cl)cc1 | nan | |||
CHEMBL1428935 | 34522 | None | 5 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 4 | ChEMBL | 373 | 4 | 0 | 5 | 4.8 | N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(Cl)cc1 | nan | |||
2609912 | 48868 | None | 3 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 2 | ChEMBL | 392 | 5 | 0 | 7 | 4.1 | COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1 | nan | |||
CHEMBL1559259 | 48868 | None | 3 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 2 | ChEMBL | 392 | 5 | 0 | 7 | 4.1 | COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1 | nan | |||
162651402 | 180288 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -263 | 4 | ChEMBL | 5221 | 175 | 80 | 73 | -23.1 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
CHEMBL4749279 | 180288 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | -263 | 4 | ChEMBL | 5221 | 175 | 80 | 73 | -23.1 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
70689961 | 74697 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 471 | 6 | 2 | 4 | 5.3 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C#N | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030164 | 74697 | None | 0 | Human | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 471 | 6 | 2 | 4 | 5.3 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C#N | 10.1016/j.bmcl.2012.04.107 | |||
70689962 | 74706 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 465 | 6 | 2 | 5 | 5.0 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3c(C)noc3C)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030182 | 74706 | None | 0 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 465 | 6 | 2 | 5 | 5.0 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3c(C)noc3C)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
664816 | 35658 | None | 5 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 2 | 2 | ChEMBL | 349 | 6 | 1 | 6 | 4.4 | COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC | nan | |||
CHEMBL1439981 | 35658 | None | 5 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 2 | 2 | ChEMBL | 349 | 6 | 1 | 6 | 4.4 | COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC | nan | |||
9594209 | 108045 | None | 2 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 2 | 2 | ChEMBL | 538 | 12 | 2 | 7 | 3.0 | COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC | nan | |||
CHEMBL3194054 | 108045 | None | 2 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 2 | 2 | ChEMBL | 538 | 12 | 2 | 7 | 3.0 | COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC | nan | |||
4268834 | 74701 | None | 7 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 431 | 6 | 1 | 3 | 5.2 | CCOc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030175 | 74701 | None | 7 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 431 | 6 | 1 | 3 | 5.2 | CCOc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
4460128 | 54408 | None | 11 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | nan | |||
CHEMBL1608982 | 54408 | None | 11 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | nan | |||
70689965 | 74718 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 480 | 6 | 2 | 5 | 4.2 | CS(=O)(=O)Nc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030196 | 74718 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 480 | 6 | 2 | 5 | 4.2 | CS(=O)(=O)Nc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
2788869 | 33872 | None | 8 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 444 | 8 | 0 | 6 | 5.4 | CCC(Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1)C(=O)OCc1ccccc1 | nan | |||
CHEMBL1423382 | 33872 | None | 8 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 444 | 8 | 0 | 6 | 5.4 | CCC(Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1)C(=O)OCc1ccccc1 | nan | |||
6858398 | 108826 | None | 6 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 322 | 6 | 0 | 6 | 3.1 | COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C)cc1 | nan | |||
CHEMBL3208997 | 108826 | None | 6 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 322 | 6 | 0 | 6 | 3.1 | COc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C)cc1 | nan | |||
254021 | 163210 | None | 22 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -3 | 4 | ChEMBL | 223 | 0 | 1 | 3 | 2.3 | Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 | nan | |||
CHEMBL417727 | 163210 | None | 22 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -3 | 4 | ChEMBL | 223 | 0 | 1 | 3 | 2.3 | Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 | nan | |||
831603 | 51866 | None | 15 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 3 | ChEMBL | 330 | 5 | 0 | 5 | 4.3 | COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 | nan | |||
CHEMBL1585445 | 51866 | None | 15 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 3 | ChEMBL | 330 | 5 | 0 | 5 | 4.3 | COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1 | nan | |||
2228302 | 30998 | None | 9 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 29 | 2 | ChEMBL | 490 | 6 | 2 | 3 | 6.7 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1 | nan | |||
CHEMBL1398754 | 30998 | None | 9 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 29 | 2 | ChEMBL | 490 | 6 | 2 | 3 | 6.7 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1 | nan | |||
2376964 | 39010 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 414 | 5 | 1 | 5 | 5.3 | Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl | nan | |||
CHEMBL1468302 | 39010 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 414 | 5 | 1 | 5 | 5.3 | Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl | nan | |||
1183477 | 21180 | None | 12 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 375 | 4 | 1 | 4 | 4.7 | COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC | nan | |||
CHEMBL1312703 | 21180 | None | 12 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 375 | 4 | 1 | 4 | 4.7 | COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC | nan | |||
2890146 | 50218 | None | 7 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 441 | 6 | 1 | 5 | 4.9 | COc1ccc(-c2[nH]nc3c2C(c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1 | nan | |||
CHEMBL1570844 | 50218 | None | 7 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 441 | 6 | 1 | 5 | 4.9 | COc1ccc(-c2[nH]nc3c2C(c2ccc(OC)c(OC)c2)N(c2ccccc2)C3=O)cc1 | nan | |||
563820 | 55549 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | |||
CHEMBL1426022 | 55549 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | |||
CHEMBL1620460 | 55549 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 321 | 3 | 1 | 2 | 4.3 | OC1(c2ccccc2)CCN(Cc2ccccc2)C2CCCCC21 | nan | |||
2223246 | 34394 | None | 27 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 7 | 2 | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL1427860 | 34394 | None | 27 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 7 | 2 | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | 10.1016/j.bmcl.2013.11.061 | |||
2223246 | 34394 | None | 27 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 7 | 2 | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL1427860 | 34394 | None | 27 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 7 | 2 | ChEMBL | 470 | 6 | 2 | 3 | 6.3 | Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2C)c1 | 10.1016/j.bmcl.2012.04.107 | |||
4460128 | 54408 | None | 11 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL1608982 | 54408 | None | 11 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | 10.1016/j.bmcl.2013.11.061 | |||
4460128 | 54408 | None | 11 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL1608982 | 54408 | None | 11 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 341 | 4 | 0 | 4 | 4.2 | Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
3206677 | 21106 | None | 1 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 351 | 5 | 2 | 3 | 4.1 | Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C | nan | |||
CHEMBL1312220 | 21106 | None | 1 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 351 | 5 | 2 | 3 | 4.1 | Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C | nan | |||
6892993 | 108335 | None | 1 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 378 | 7 | 1 | 6 | 3.8 | CCOc1ccc(Oc2c(/C=N/NC(C)=O)c(C)nn2-c2ccccc2)cc1 | nan | |||
CHEMBL3197426 | 108335 | None | 1 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 378 | 7 | 1 | 6 | 3.8 | CCOc1ccc(Oc2c(/C=N/NC(C)=O)c(C)nn2-c2ccccc2)cc1 | nan | |||
12004848 | 27086 | None | 1 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 2 | 2 | ChEMBL | 246 | 5 | 1 | 3 | 2.5 | CCCCOc1ccc(C2=NNC(=O)CC2)cc1 | nan | |||
CHEMBL1365319 | 27086 | None | 1 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 2 | 2 | ChEMBL | 246 | 5 | 1 | 3 | 2.5 | CCCCOc1ccc(C2=NNC(=O)CC2)cc1 | nan | |||
647568 | 40997 | None | 3 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 335 | 4 | 0 | 6 | 4.1 | CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | |||
CHEMBL1487131 | 40997 | None | 3 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 335 | 4 | 0 | 6 | 4.1 | CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 | nan | |||
162650338 | 180253 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -97 | 2 | ChEMBL | 5278 | 177 | 81 | 74 | -23.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
CHEMBL4748874 | 180253 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | -97 | 2 | ChEMBL | 5278 | 177 | 81 | 74 | -23.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
101430 | 96486 | None | 14 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1023 | 5 | ChEMBL | 343 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | nan | |||
CHEMBL262083 | 96486 | None | 14 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1023 | 5 | ChEMBL | 343 | 4 | 4 | 9 | 0.2 | OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O | nan | |||
44634614 | 72941 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 2 | 3 | ChEMBL | 528 | 2 | 3 | 5 | 3.8 | C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@@H]1O | nan | |||
CHEMBL2004475 | 72941 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 2 | 3 | ChEMBL | 528 | 2 | 3 | 5 | 3.8 | C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C\C(=O)[C@@H]1O | nan | |||
2942743 | 41823 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 2 | 3 | ChEMBL | 367 | 5 | 1 | 2 | 6.1 | CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 | nan | |||
CHEMBL1493277 | 41823 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 2 | 3 | ChEMBL | 367 | 5 | 1 | 2 | 6.1 | CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 | nan | |||
70681551 | 74702 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030176 | 74702 | None | 0 | Human | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 494 | 6 | 1 | 4 | 4.0 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
70689963 | 74714 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 520 | 6 | 1 | 5 | 4.6 | O=C(Oc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030190 | 74714 | None | 0 | Human | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 520 | 6 | 1 | 5 | 4.6 | O=C(Oc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2012.04.107 | |||
5338258 | 49912 | None | 3 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 259 | 3 | 0 | 2 | 4.1 | O=C(/C=C/c1cccc2ccccc12)c1ccncc1 | nan | |||
CHEMBL1568243 | 49912 | None | 3 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 259 | 3 | 0 | 2 | 4.1 | O=C(/C=C/c1cccc2ccccc12)c1ccncc1 | nan | |||
6871377 | 107741 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 3 | ChEMBL | 295 | 3 | 1 | 4 | 3.7 | CC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O | nan | |||
CHEMBL3190644 | 107741 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 3 | ChEMBL | 295 | 3 | 1 | 4 | 3.7 | CC(C)COC(=O)c1cccc2c1-c1ccccc1/C2=N\O | nan | |||
5281371 | 34294 | None | 15 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 426 | 5 | 0 | 7 | 4.4 | C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C(C)=C\C | nan | |||
CHEMBL1426896 | 34294 | None | 15 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 426 | 5 | 0 | 7 | 4.4 | C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)/C(C)=C\C | nan | |||
9566117 | 108987 | None | 8 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 317 | 5 | 2 | 2 | 3.4 | S=C(NCCc1ccccc1)N/N=C/c1ccccc1Cl | nan | |||
CHEMBL3211272 | 108987 | None | 8 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 317 | 5 | 2 | 2 | 3.4 | S=C(NCCc1ccccc1)N/N=C/c1ccccc1Cl | nan | |||
8178372 | 53323 | None | 1 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 3 | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | |||
CHEMBL1599610 | 53323 | None | 1 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 3 | ChEMBL | 282 | 3 | 1 | 2 | 4.1 | O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1 | nan | |||
2181167 | 55085 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | |||
CHEMBL1308845 | 55085 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | |||
CHEMBL1616638 | 55085 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 367 | 7 | 1 | 2 | 5.0 | Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1 | nan | |||
1543852 | 33925 | None | 10 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 3 | ChEMBL | 371 | 4 | 0 | 4 | 5.6 | N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)c(Cl)c1 | nan | |||
CHEMBL1423799 | 33925 | None | 10 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 3 | ChEMBL | 371 | 4 | 0 | 4 | 5.6 | N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)c(Cl)c1 | nan | |||
1235256 | 30156 | None | 11 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 311 | 1 | 1 | 2 | 5.2 | Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 | nan | |||
CHEMBL1389982 | 30156 | None | 11 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 311 | 1 | 1 | 2 | 5.2 | Oc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1 | nan | |||
3706900 | 34383 | None | 5 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 405 | 7 | 1 | 4 | 3.5 | CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O | nan | |||
CHEMBL1427745 | 34383 | None | 5 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 405 | 7 | 1 | 4 | 3.5 | CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O | nan | |||
1220296 | 42470 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 396 | 3 | 1 | 4 | 5.2 | Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 | nan | |||
CHEMBL1499276 | 42470 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 396 | 3 | 1 | 4 | 5.2 | Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 | nan | |||
5708012 | 24884 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 340 | 5 | 0 | 3 | 5.3 | COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 | nan | |||
CHEMBL1345334 | 24884 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 340 | 5 | 0 | 3 | 5.3 | COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1 | nan | |||
5740982 | 31368 | None | 4 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 366 | 5 | 0 | 3 | 5.1 | Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 | nan | |||
CHEMBL1402158 | 31368 | None | 4 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 366 | 5 | 0 | 3 | 5.1 | Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 | nan | |||
1894428 | 34802 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 388 | 8 | 0 | 7 | 3.8 | CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(N(C)C)n1 | nan | |||
CHEMBL1431004 | 34802 | None | 7 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 2 | ChEMBL | 388 | 8 | 0 | 7 | 3.8 | CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(N(C)C)n1 | nan | |||
2930337 | 39040 | None | 5 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 331 | 2 | 0 | 3 | 2.6 | O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1 | nan | |||
CHEMBL1468490 | 39040 | None | 5 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 331 | 2 | 0 | 3 | 2.6 | O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1 | nan | |||
664856 | 20647 | None | 5 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 4 | ChEMBL | 281 | 1 | 0 | 4 | 3.9 | Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1 | nan | |||
CHEMBL1308461 | 20647 | None | 5 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 4 | ChEMBL | 281 | 1 | 0 | 4 | 3.9 | Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1 | nan | |||
649757 | 47549 | None | 11 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 383 | 3 | 1 | 5 | 5.0 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2 | nan | |||
CHEMBL1545971 | 47549 | None | 11 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 383 | 3 | 1 | 5 | 5.0 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCC2 | nan | |||
70683663 | 74716 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 479 | 6 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030192 | 74716 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 479 | 6 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
4287464 | 55375 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | |||
CHEMBL1381600 | 55375 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | |||
CHEMBL1619019 | 55375 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 351 | 2 | 0 | 1 | 5.1 | Cc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCc2ccccc2-3)c(C)c1 | nan | |||
4246341 | 26523 | None | 1 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 405 | 4 | 0 | 8 | 3.2 | COc1ccc(-c2nnc3sc(C(C)N4C(=O)c5ccccc5C4=O)nn23)cc1 | nan | |||
CHEMBL1360426 | 26523 | None | 1 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 405 | 4 | 0 | 8 | 3.2 | COc1ccc(-c2nnc3sc(C(C)N4C(=O)c5ccccc5C4=O)nn23)cc1 | nan | |||
2198291 | 34356 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 401 | 6 | 1 | 2 | 6.5 | O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 | nan | |||
CHEMBL1427504 | 34356 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 401 | 6 | 1 | 2 | 6.5 | O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 | nan | |||
70696289 | 74695 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 500 | 5 | 2 | 3 | 6.1 | COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C(F)(F)F | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030162 | 74695 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 500 | 5 | 2 | 3 | 6.1 | COc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C(F)(F)F | 10.1016/j.bmcl.2012.04.107 | |||
162645314 | 179595 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -4 | 2 | ChEMBL | 4923 | 167 | 76 | 68 | -19.8 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
CHEMBL4741000 | 179595 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | -4 | 2 | ChEMBL | 4923 | 167 | 76 | 68 | -19.8 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | |||
70696293 | 74711 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 494 | 6 | 1 | 5 | 4.1 | CN(C)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030188 | 74711 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 494 | 6 | 1 | 5 | 4.1 | CN(C)S(=O)(=O)c1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
1798157 | 27239 | None | 9 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 342 | 5 | 2 | 2 | 4.2 | CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C | nan | |||
CHEMBL1366620 | 27239 | None | 9 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 342 | 5 | 2 | 2 | 4.2 | CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C | nan | |||
70689958 | 74680 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 445 | 5 | 2 | 3 | 5.1 | CN(C)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030147 | 74680 | None | 0 | Human | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 445 | 5 | 2 | 3 | 5.1 | CN(C)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
1896116 | 55575 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 305 | 6 | 0 | 1 | 4.7 | CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1 | nan | |||
CHEMBL1432676 | 55575 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 305 | 6 | 0 | 1 | 4.7 | CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1 | nan | |||
CHEMBL1620776 | 55575 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 305 | 6 | 0 | 1 | 4.7 | CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1 | nan | |||
2577652 | 50616 | None | 3 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 390 | 4 | 0 | 8 | 3.5 | COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1 | nan | |||
CHEMBL1574689 | 50616 | None | 3 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 3 | ChEMBL | 390 | 4 | 0 | 8 | 3.5 | COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1 | nan | |||
10324083 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
3504 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21283 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
10324083 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
3504 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL21283 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
1201829 | 45909 | None | 8 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 437 | 8 | 1 | 5 | 4.7 | COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3)n2)c1 | nan | |||
CHEMBL1531745 | 45909 | None | 8 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 437 | 8 | 1 | 5 | 4.7 | COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3)n2)c1 | nan | |||
9590479 | 109203 | None | 5 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 386 | 6 | 1 | 3 | 5.0 | O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl | nan | |||
CHEMBL3214137 | 109203 | None | 5 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 386 | 6 | 1 | 3 | 5.0 | O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl | nan | |||
4557532 | 22902 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 434 | 3 | 1 | 5 | 5.6 | Cc1nc(N2CCCCC2)c2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 | nan | |||
CHEMBL1328939 | 22902 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 434 | 3 | 1 | 5 | 5.6 | Cc1nc(N2CCCCC2)c2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 | nan | |||
70696292 | 74708 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 535 | 4 | 2 | 5 | 3.6 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030185 | 74708 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 535 | 4 | 2 | 5 | 3.6 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
70683661 | 74700 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 458 | 6 | 1 | 3 | 6.1 | CCOC(=O)c1ccc(NC(=S)N2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030172 | 74700 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 458 | 6 | 1 | 3 | 6.1 | CCOC(=O)c1ccc(NC(=S)N2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
6413289 | 44865 | None | 12 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 372 | 3 | 0 | 3 | 5.8 | Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl | nan | |||
CHEMBL1522356 | 44865 | None | 12 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 372 | 3 | 0 | 3 | 5.8 | Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1Cl | nan | |||
2897425 | 21181 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 394 | 9 | 1 | 5 | 4.2 | CCN(CC)CC(O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 | nan | |||
CHEMBL1312713 | 21181 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 394 | 9 | 1 | 5 | 4.2 | CCN(CC)CC(O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 | nan | |||
2450538 | 37258 | None | 3 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 | nan | |||
CHEMBL1453672 | 37258 | None | 3 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 | nan | |||
1477664 | 46577 | None | 18 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 359 | 5 | 0 | 4 | 5.7 | Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1 | nan | |||
CHEMBL1537995 | 46577 | None | 18 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1 | 2 | ChEMBL | 359 | 5 | 0 | 4 | 5.7 | Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1 | nan | |||
3235942 | 40256 | None | 5 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 415 | 4 | 1 | 7 | 3.4 | COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 | nan | |||
CHEMBL1480648 | 40256 | None | 5 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 415 | 4 | 1 | 7 | 3.4 | COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)cc1 | nan | |||
70689959 | 74681 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 473 | 7 | 2 | 3 | 5.9 | CCN(CC)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030148 | 74681 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 473 | 7 | 2 | 3 | 5.9 | CCN(CC)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
3236979 | 31574 | None | 7 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | nan | |||
CHEMBL1404069 | 31574 | None | 7 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 415 | 7 | 1 | 6 | 4.6 | COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1 | nan | |||
2173045 | 29370 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 346 | 5 | 2 | 3 | 3.1 | Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1 | nan | |||
CHEMBL1383592 | 29370 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 346 | 5 | 2 | 3 | 3.1 | Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1 | nan | |||
649706 | 20501 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -2 | 5 | ChEMBL | 420 | 5 | 0 | 7 | 4.3 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | nan | |||
CHEMBL1307319 | 20501 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -2 | 5 | ChEMBL | 420 | 5 | 0 | 7 | 4.3 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | nan | |||
70681544 | 74678 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 444 | 6 | 2 | 2 | 6.0 | CCCc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030145 | 74678 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 444 | 6 | 2 | 2 | 6.0 | CCCc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
70689960 | 74687 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 501 | 7 | 2 | 3 | 5.5 | CCN(CC)C(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030154 | 74687 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 501 | 7 | 2 | 3 | 5.5 | CCN(CC)C(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
4526399 | 39427 | None | 8 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 500 | 5 | 0 | 7 | 5.1 | COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc4ccccc4c3)cc12 | nan | |||
CHEMBL1471779 | 39427 | None | 8 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 500 | 5 | 0 | 7 | 5.1 | COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc4ccccc4c3)cc12 | nan | |||
9563579 | 72522 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 325 | 5 | 0 | 4 | 4.7 | C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 | nan | |||
CHEMBL1990096 | 72522 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 325 | 5 | 0 | 4 | 4.7 | C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 | nan | |||
5132730 | 25804 | None | 9 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | 354 | 9 | 2 | 4 | 2.7 | CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | nan | |||
CHEMBL1353075 | 25804 | None | 9 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | 354 | 9 | 2 | 4 | 2.7 | CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | nan | |||
665164 | 55139 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | |||
CHEMBL1348426 | 55139 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | |||
CHEMBL1617044 | 55139 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 363 | 7 | 0 | 5 | 3.6 | CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1 | nan | |||
876519 | 55605 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | |||
CHEMBL1452153 | 55605 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | |||
CHEMBL1621027 | 55605 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 345 | 4 | 0 | 2 | 4.4 | Cc1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 | nan | |||
3198 | 207971 | None | 50 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -44 | 37 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 207971 | None | 50 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -44 | 37 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 207971 | None | 50 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -44 | 37 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
2446403 | 23691 | None | 1 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 391 | 6 | 1 | 3 | 5.2 | O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 | nan | |||
CHEMBL1335124 | 23691 | None | 1 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 391 | 6 | 1 | 3 | 5.2 | O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 | nan | |||
663290 | 21015 | None | 8 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -3 | 4 | ChEMBL | 426 | 6 | 0 | 6 | 5.0 | Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 | nan | |||
CHEMBL1311570 | 21015 | None | 8 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -3 | 4 | ChEMBL | 426 | 6 | 0 | 6 | 5.0 | Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 | nan | |||
5854588 | 54580 | None | 9 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 328 | 5 | 0 | 4 | 5.2 | Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 | nan | |||
CHEMBL1610409 | 54580 | None | 9 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 3 | ChEMBL | 328 | 5 | 0 | 4 | 5.2 | Clc1ccccc1CSc1nnc(/C=C/c2ccccc2)o1 | nan | |||
1816029 | 26439 | None | 7 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | 294 | 5 | 0 | 4 | 3.6 | CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1 | nan | |||
CHEMBL1359694 | 26439 | None | 7 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | 294 | 5 | 0 | 4 | 3.6 | CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1 | nan | |||
17376722 | 74692 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 432 | 5 | 2 | 3 | 5.0 | COc1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030159 | 74692 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 432 | 5 | 2 | 3 | 5.0 | COc1cccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2012.04.107 | |||
15944687 | 24611 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 370 | 4 | 0 | 6 | 4.7 | COC(=O)c1cc2occc2n1Cc1nc(-c2ccccc2Cl)oc1C | nan | |||
CHEMBL1342925 | 24611 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 370 | 4 | 0 | 6 | 4.7 | COC(=O)c1cc2occc2n1Cc1nc(-c2ccccc2Cl)oc1C | nan | |||
70696290 | 74696 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 507 | 7 | 2 | 3 | 6.5 | CCN(CC)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030163 | 74696 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 507 | 7 | 2 | 3 | 6.5 | CCN(CC)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.107 | |||
665910 | 45459 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 3 | ChEMBL | 390 | 2 | 1 | 6 | 3.8 | Clc1ccc(C2=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC2)cc1Cl | nan | |||
CHEMBL1527817 | 45459 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 3 | ChEMBL | 390 | 2 | 1 | 6 | 3.8 | Clc1ccc(C2=Nn3c(nnc3-c3[nH]nc4c3CCC4)SC2)cc1Cl | nan | |||
943274 | 43679 | None | 5 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 348 | 2 | 1 | 2 | 5.2 | Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 | nan | |||
CHEMBL1509886 | 43679 | None | 5 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 348 | 2 | 1 | 2 | 5.2 | Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 | nan | |||
70685808 | 74707 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 527 | 6 | 2 | 4 | 4.4 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030183 | 74707 | None | 0 | Human | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 527 | 6 | 2 | 4 | 4.4 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
70685805 | 74698 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 485 | 6 | 2 | 4 | 5.7 | CC(C)Oc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C#N | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030165 | 74698 | None | 0 | Human | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 485 | 6 | 2 | 4 | 5.7 | CC(C)Oc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C#N | 10.1016/j.bmcl.2012.04.107 | |||
20846851 | 108134 | None | 3 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 398 | 6 | 1 | 4 | 4.4 | O=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1 | nan | |||
CHEMBL3195229 | 108134 | None | 3 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 398 | 6 | 1 | 4 | 4.4 | O=C(N/N=C/c1ccco1)c1ccccc1OCc1ccc(Br)cc1 | nan | |||
826626 | 55104 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | |||
CHEMBL1310577 | 55104 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | |||
CHEMBL1616775 | 55104 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 293 | 4 | 0 | 2 | 5.1 | CN(C)Cc1ccccc1Sc1cccc2ccccc12 | nan | |||
955150 | 23845 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 335 | 4 | 0 | 3 | 5.2 | O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 | nan | |||
CHEMBL1336318 | 23845 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 3 | ChEMBL | 335 | 4 | 0 | 3 | 5.2 | O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 | nan | |||
1302588 | 55651 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | |||
CHEMBL1457093 | 55651 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | |||
CHEMBL1621407 | 55651 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 346 | 8 | 2 | 3 | 4.0 | O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 | nan | |||
70687927 | 74703 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 510 | 6 | 2 | 5 | 3.7 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
CHEMBL2030179 | 74703 | None | 0 | Human | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 510 | 6 | 2 | 5 | 3.7 | CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccn3)CC2)cc1 | 10.1016/j.bmcl.2012.04.107 | |||
6876206 | 108553 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 370 | 7 | 3 | 5 | 2.3 | COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 | nan | |||
CHEMBL3199632 | 108553 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 370 | 7 | 3 | 5 | 2.3 | COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 | nan | |||
1183030 | 199177 | None | 9 | Human | Functional | pIC50 | = | 5 | 5.0 | -1 | 2 | ChEMBL | 394 | 6 | 1 | 4 | 5.5 | Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 | nan | |||
CHEMBL564979 | 199177 | None | 9 | Human | Functional | pIC50 | = | 5 | 5.0 | -1 | 2 | ChEMBL | 394 | 6 | 1 | 4 | 5.5 | Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 | nan | |||
11958550 | 48460 | None | 0 | Human | Functional | pIC50 | = | 5 | 5.0 | 1 | 2 | ChEMBL | 368 | 8 | 2 | 5 | 3.8 | CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O | nan | |||
CHEMBL1555711 | 48460 | None | 0 | Human | Functional | pIC50 | = | 5 | 5.0 | 1 | 2 | ChEMBL | 368 | 8 | 2 | 5 | 3.8 | CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O | nan | |||
16667090 | 91456 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 521 | 8 | 2 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403028 | 91456 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 521 | 8 | 2 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
16058735 | 91455 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 493 | 7 | 3 | 5 | 5.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403027 | 91455 | None | 0 | Human | Functional | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 493 | 7 | 3 | 5 | 5.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
16667135 | 91452 | None | 0 | Human | Functional | pKd | = | 7.5 | 7.5 | - | 1 | ChEMBL | 506 | 8 | 1 | 5 | 5.6 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403024 | 91452 | None | 0 | Human | Functional | pKd | = | 7.5 | 7.5 | - | 1 | ChEMBL | 506 | 8 | 1 | 5 | 5.6 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
50925492 | 19046 | None | 0 | Human | Functional | pKi | = | 8.7 | 8.7 | - | 0 | ChEMBL | 533 | 6 | 1 | 3 | 7.0 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288285 | 19046 | None | 0 | Human | Functional | pKi | = | 8.7 | 8.7 | - | 0 | ChEMBL | 533 | 6 | 1 | 3 | 7.0 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | |||
45269889 | 197340 | None | 0 | Human | Functional | pKi | = | 8 | 8.0 | - | 0 | ChEMBL | 461 | 5 | 1 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL549771 | 197340 | None | 0 | Human | Functional | pKi | = | 8 | 8.0 | - | 0 | ChEMBL | 461 | 5 | 1 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
52947370 | 19027 | None | 0 | Human | Functional | pKi | = | 6 | 6.0 | - | 0 | ChEMBL | 413 | 6 | 2 | 3 | 5.2 | CC(C)NC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288138 | 19027 | None | 0 | Human | Functional | pKi | = | 6 | 6.0 | - | 0 | ChEMBL | 413 | 6 | 2 | 3 | 5.2 | CC(C)NC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
45271544 | 197864 | None | 0 | Human | Functional | pKi | = | 7.9 | 7.9 | - | 0 | ChEMBL | 530 | 5 | 1 | 4 | 5.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL552112 | 197864 | None | 0 | Human | Functional | pKi | = | 7.9 | 7.9 | - | 0 | ChEMBL | 530 | 5 | 1 | 4 | 5.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ncccc3C(F)(F)F)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
45273317 | 198118 | None | 0 | Human | Functional | pKi | = | 7.9 | 7.9 | - | 0 | ChEMBL | 510 | 6 | 1 | 4 | 5.5 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL556481 | 198118 | None | 0 | Human | Functional | pKi | = | 7.9 | 7.9 | - | 0 | ChEMBL | 510 | 6 | 1 | 4 | 5.5 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2009.06.035 | |||
52948513 | 18993 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1287870 | 18993 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
50925474 | 19031 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 425 | 7 | 2 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288170 | 19031 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 425 | 7 | 2 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | |||
45271522 | 197404 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL549895 | 197404 | None | 0 | Human | Functional | pKi | = | 6.9 | 6.9 | - | 0 | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
52946147 | 19040 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | ChEMBL | 426 | 7 | 2 | 4 | 4.6 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ccccn1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288226 | 19040 | None | 0 | Human | Functional | pKi | = | 5.9 | 5.9 | - | 0 | ChEMBL | 426 | 7 | 2 | 4 | 4.6 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ccccn1 | 10.1016/j.bmcl.2010.10.065 | |||
52948948 | 19021 | None | 0 | Human | Functional | pKi | = | 7.8 | 7.8 | - | 0 | ChEMBL | 507 | 5 | 1 | 3 | 6.7 | CC(C)(C(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288078 | 19021 | None | 0 | Human | Functional | pKi | = | 7.8 | 7.8 | - | 0 | ChEMBL | 507 | 5 | 1 | 3 | 6.7 | CC(C)(C(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | |||
52948640 | 19045 | None | 0 | Human | Functional | pKi | = | 7.8 | 7.8 | - | 0 | ChEMBL | 479 | 4 | 2 | 3 | 5.9 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288284 | 19045 | None | 0 | Human | Functional | pKi | = | 7.8 | 7.8 | - | 0 | ChEMBL | 479 | 4 | 2 | 3 | 5.9 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCNC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | |||
50925473 | 19002 | None | 1 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 535 | 6 | 1 | 5 | 5.8 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1287953 | 19002 | None | 1 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 535 | 6 | 1 | 5 | 5.8 | CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2010.10.065 | |||
45271528 | 197637 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 425 | 4 | 1 | 3 | 4.8 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C1CCCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL550504 | 197637 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 425 | 4 | 1 | 3 | 4.8 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C1CCCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
45268150 | 198541 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL560716 | 198541 | None | 0 | Human | Functional | pKi | = | 6.8 | 6.8 | - | 0 | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
45271540 | 197792 | None | 0 | Human | Functional | pKi | = | 5.8 | 5.8 | - | 0 | ChEMBL | 427 | 5 | 1 | 3 | 4.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL551715 | 197792 | None | 0 | Human | Functional | pKi | = | 5.8 | 5.8 | - | 0 | ChEMBL | 427 | 5 | 1 | 3 | 4.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
50925491 | 19036 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 493 | 7 | 2 | 3 | 6.2 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288200 | 19036 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 493 | 7 | 2 | 3 | 6.2 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.065 | |||
45268152 | 198562 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 439 | 4 | 1 | 3 | 5.2 | CC1(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)CCCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL560914 | 198562 | None | 0 | Human | Functional | pKi | = | 7.7 | 7.7 | - | 0 | ChEMBL | 439 | 4 | 1 | 3 | 5.2 | CC1(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)CCCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
52949765 | 19008 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1287985 | 19008 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
52949775 | 19011 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288015 | 19011 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
45268145 | 198472 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 429 | 4 | 1 | 4 | 4.3 | COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL560117 | 198472 | None | 0 | Human | Functional | pKi | = | 6.7 | 6.7 | - | 0 | ChEMBL | 429 | 4 | 1 | 4 | 4.3 | COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
52946124 | 19024 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 399 | 6 | 2 | 3 | 4.8 | CCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288108 | 19024 | None | 0 | Human | Functional | pKi | = | 5.7 | 5.7 | - | 0 | ChEMBL | 399 | 6 | 2 | 3 | 4.8 | CCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
45269902 | 197652 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 491 | 6 | 1 | 4 | 5.2 | COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL550583 | 197652 | None | 0 | Human | Functional | pKi | = | 8.6 | 8.6 | - | 0 | ChEMBL | 491 | 6 | 1 | 4 | 5.2 | COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
44249749 | 13945 | None | 5 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1196581 | 13945 | None | 5 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL557502 | 13945 | None | 5 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
50925475 | 19035 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 439 | 7 | 2 | 3 | 5.5 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288199 | 19035 | None | 0 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 439 | 7 | 2 | 3 | 5.5 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.10.065 | |||
44249749 | 13945 | None | 5 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL1196581 | 13945 | None | 5 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL557502 | 13945 | None | 5 | Human | Functional | pKi | = | 7.6 | 7.6 | - | 0 | ChEMBL | 492 | 6 | 1 | 5 | 4.6 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
52943629 | 18996 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1287898 | 18996 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
52947327 | 19003 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 385 | 4 | 1 | 3 | 4.6 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1287954 | 19003 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 385 | 4 | 1 | 3 | 4.6 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
52942508 | 19028 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 413 | 7 | 2 | 3 | 5.2 | CCCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288139 | 19028 | None | 0 | Human | Functional | pKi | = | 6.6 | 6.6 | - | 0 | ChEMBL | 413 | 7 | 2 | 3 | 5.2 | CCCNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
45269879 | 197902 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 413 | 3 | 0 | 3 | 4.3 | CN(C(=O)C(C)(C)C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL552393 | 197902 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 413 | 3 | 0 | 3 | 4.3 | CN(C(=O)C(C)(C)C)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
45273325 | 198176 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 457 | 6 | 1 | 4 | 4.6 | COc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL557098 | 198176 | None | 0 | Human | Functional | pKi | = | 5.6 | 5.6 | - | 0 | ChEMBL | 457 | 6 | 1 | 4 | 4.6 | COc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
45272453 | 197647 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | 529 | 5 | 1 | 3 | 6.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL550559 | 197647 | None | 0 | Human | Functional | pKi | = | 8.4 | 8.4 | - | 0 | ChEMBL | 529 | 5 | 1 | 3 | 6.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
52947300 | 18984 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 488 | 6 | 1 | 4 | 6.0 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1287814 | 18984 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 488 | 6 | 1 | 4 | 6.0 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccn1 | 10.1016/j.bmcl.2010.10.065 | |||
52945324 | 19016 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 439 | 5 | 1 | 3 | 5.7 | CC(C)(C(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288048 | 19016 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 439 | 5 | 1 | 3 | 5.7 | CC(C)(C(=O)Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | |||
45268155 | 198625 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 434 | 5 | 1 | 4 | 3.9 | O=C(Cc1ccccn1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL561313 | 198625 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 434 | 5 | 1 | 4 | 3.9 | O=C(Cc1ccccn1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
45269036 | 198677 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 427 | 4 | 1 | 4 | 3.8 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C1CCCCO1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL561577 | 198677 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 427 | 4 | 1 | 4 | 3.8 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C1CCCCO1 | 10.1016/j.bmcl.2009.06.035 | |||
45269040 | 198762 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 441 | 5 | 1 | 3 | 4.9 | Cc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL562179 | 198762 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 441 | 5 | 1 | 3 | 4.9 | Cc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.06.035 | |||
45267282 | 199070 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 429 | 4 | 1 | 4 | 4.3 | COc1cccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3Cl)CC2)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL564159 | 199070 | None | 0 | Human | Functional | pKi | = | 6.5 | 6.5 | - | 0 | ChEMBL | 429 | 4 | 1 | 4 | 4.3 | COc1cccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3Cl)CC2)c1 | 10.1016/j.bmcl.2009.06.035 | |||
45269896 | 197504 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 461 | 5 | 1 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1Cl)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL549976 | 197504 | None | 0 | Human | Functional | pKi | = | 5.5 | 5.5 | - | 0 | ChEMBL | 461 | 5 | 1 | 3 | 5.2 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1Cl)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
52941248 | 19007 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1287984 | 19007 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 403 | 4 | 1 | 3 | 4.8 | CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
52947384 | 19041 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 495 | 7 | 2 | 5 | 5.0 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288227 | 19041 | None | 0 | Human | Functional | pKi | = | 6.4 | 6.4 | - | 0 | ChEMBL | 495 | 7 | 2 | 5 | 5.0 | CC(C)(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2010.10.065 | |||
45271536 | 197736 | None | 0 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 0 | ChEMBL | 475 | 5 | 1 | 3 | 5.5 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL551311 | 197736 | None | 0 | Human | Functional | pKi | = | 8.3 | 8.3 | - | 0 | ChEMBL | 475 | 5 | 1 | 3 | 5.5 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2009.06.035 | |||
52942479 | 19012 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 487 | 6 | 1 | 3 | 6.6 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288016 | 19012 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 487 | 6 | 1 | 3 | 6.6 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.065 | |||
45269027 | 198987 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 413 | 5 | 1 | 3 | 4.7 | CCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL563650 | 198987 | None | 0 | Human | Functional | pKi | = | 7.3 | 7.3 | - | 0 | ChEMBL | 413 | 5 | 1 | 3 | 4.7 | CCC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
52950120 | 18997 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1287899 | 18997 | None | 0 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 417 | 3 | 1 | 3 | 4.4 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
1294837 | 195135 | None | 7 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL539730 | 195135 | None | 7 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2010.10.065 | |||
1294837 | 195135 | None | 7 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL539730 | 195135 | None | 7 | Human | Functional | pKi | = | 6.3 | 6.3 | - | 0 | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
17118052 | 198850 | None | 1 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 0 | ChEMBL | 509 | 6 | 1 | 3 | 6.1 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL562725 | 198850 | None | 1 | Human | Functional | pKi | = | 8.2 | 8.2 | - | 0 | ChEMBL | 509 | 6 | 1 | 3 | 6.1 | O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
52948566 | 19020 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 453 | 5 | 1 | 3 | 6.0 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288077 | 19020 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 453 | 5 | 1 | 3 | 6.0 | Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(N4CCCCC4)CC3)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.10.065 | |||
45268161 | 198694 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL561719 | 198694 | None | 0 | Human | Functional | pKi | = | 7.2 | 7.2 | - | 0 | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
52949834 | 19044 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 427 | 8 | 2 | 5 | 4.2 | CCC(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ncccn1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288257 | 19044 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 427 | 8 | 2 | 5 | 4.2 | CCC(C(=O)Nc1ccc(N2CCC(NCC3CC3)CC2)c(Cl)c1)c1ncccn1 | 10.1016/j.bmcl.2010.10.065 | |||
45272450 | 198899 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 495 | 5 | 1 | 3 | 5.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL563037 | 198899 | None | 0 | Human | Functional | pKi | = | 6.2 | 6.2 | - | 0 | ChEMBL | 495 | 5 | 1 | 3 | 5.6 | CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
52949776 | 19017 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 451 | 5 | 1 | 3 | 5.9 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C1(c2ccccc2)CCC1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288049 | 19017 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 451 | 5 | 1 | 3 | 5.9 | O=C(Nc1ccc(N2CCC(N3CCCCC3)CC2)c(Cl)c1)C1(c2ccccc2)CCC1 | 10.1016/j.bmcl.2010.10.065 | |||
52947375 | 19030 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 427 | 7 | 2 | 3 | 5.5 | CC(C)CNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288169 | 19030 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 427 | 7 | 2 | 3 | 5.5 | CC(C)CNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.10.065 | |||
22779969 | 197312 | None | 1 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 433 | 5 | 1 | 3 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL549565 | 197312 | None | 1 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 433 | 5 | 1 | 3 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
45269874 | 198976 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL563568 | 198976 | None | 0 | Human | Functional | pKi | = | 7.1 | 7.1 | - | 0 | ChEMBL | 467 | 3 | 1 | 3 | 5.3 | CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1 | 10.1016/j.bmcl.2009.06.035 | |||
52943733 | 19043 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 441 | 7 | 2 | 5 | 4.3 | Cc1ccnc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)n1 | 10.1016/j.bmcl.2010.10.065 | |||
CHEMBL1288256 | 19043 | None | 0 | Human | Functional | pKi | = | 6.1 | 6.1 | - | 0 | ChEMBL | 441 | 7 | 2 | 5 | 4.3 | Cc1ccnc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)n1 | 10.1016/j.bmcl.2010.10.065 | |||
10324083 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | Guide to Pharmacology | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 14617685 | |||
3504 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | Guide to Pharmacology | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 14617685 | |||
CHEMBL21283 | 2147 | None | 26 | Human | Functional | pIC50 | = | 7 | 7.0 | - | 1 | Guide to Pharmacology | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 14617685 | |||
1547 | 633 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 10611450 | |||
9811493 | 633 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 10611450 | |||
CHEMBL540989 | 633 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 10611450 | |||
1522 | 336 | None | 0 | Human | Functional | pIC50 | None | 6.1 | 6.1 | -125 | 5 | Guide to Pharmacology | None | None | None | None | 12069595 |
Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
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Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
135398735 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
136262914 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
CHEMBL374478 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
171343037 | 193805 | None | 0 | Human | Binding | pEC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 4251 | 131 | 62 | 59 | -16.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5271764 | 193805 | None | 0 | Human | Binding | pEC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 4251 | 131 | 62 | 59 | -16.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
171343037 | 193805 | None | 0 | Human | Binding | pEC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 4251 | 131 | 62 | 59 | -16.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5271764 | 193805 | None | 0 | Human | Binding | pEC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 4251 | 131 | 62 | 59 | -16.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
171342457 | 193774 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 4731 | 140 | 64 | 66 | -12.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5270985 | 193774 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 4731 | 140 | 64 | 66 | -12.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
171342457 | 193774 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 4731 | 140 | 64 | 66 | -12.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5270985 | 193774 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 4731 | 140 | 64 | 66 | -12.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
171354036 | 194055 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 5106 | 152 | 68 | 70 | -12.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5277749 | 194055 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 5106 | 152 | 68 | 70 | -12.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
171354036 | 194055 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 5106 | 152 | 68 | 70 | -12.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5277749 | 194055 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 5106 | 152 | 68 | 70 | -12.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL428017 | 215863 | None | 18 | Human | Binding | pEC50 | = | 8.2 | 8.2 | 41 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL3104112 | 213512 | None | 0 | Human | Binding | pEC50 | = | 8.2 | 8.2 | 69 | 3 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2013.11.061 | |||||
171344725 | 194408 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 4254 | 127 | 60 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5285523 | 194408 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 4254 | 127 | 60 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
171344725 | 194408 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 4254 | 127 | 60 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
CHEMBL5285523 | 194408 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 4254 | 127 | 60 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.6b00043 | |||
1504 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.6 | 10.6 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
1518 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.6 | 10.6 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
1521 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.6 | 10.6 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.6 | 10.6 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.6 | 10.6 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.6 | 10.6 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.6 | 10.6 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.6 | 10.6 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.11.014 | |||||
16145166 | 161521 | None | 0 | Rat | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342931 | 161521 | None | 0 | Rat | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931431 | 161521 | None | 0 | Rat | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL412704 | 161521 | None | 0 | Rat | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
1515 | 3053 | None | 0 | Human | Binding | pIC50 | = | 10.2 | 10.2 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL269503 | 3053 | None | 0 | Human | Binding | pIC50 | = | 10.2 | 10.2 | -5 | 6 | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
1504 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
1518 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
1521 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pIC50 | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
1515 | 3053 | None | 0 | Rat | Binding | pIC50 | = | 9.9 | 9.9 | -1 | 6 | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL269503 | 3053 | None | 0 | Rat | Binding | pIC50 | = | 9.9 | 9.9 | -1 | 6 | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL4216889 | 215740 | None | 0 | Human | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
1504 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
1518 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
1521 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.7 | 9.7 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
CHEMBL4224835 | 215750 | None | 0 | Human | Binding | pIC50 | = | 9.7 | 9.7 | - | 0 | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](CO)C(=O)N2C[C@@H](O)C[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccncc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)C2CCNCC2)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2CCCCC2)C(N)=O)[C@@H](C)O)C(=O)O)CC1 | 10.1016/j.bmc.2017.12.014 | |||||
CHEMBL4226347 | 215761 | None | 0 | Human | Binding | pIC50 | = | 9.7 | 9.7 | - | 0 | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCC[C@H](N)C(=O)NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@H](CO)NC(=O)c2c[nH]cn2)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2CCCCC2)C(N)=O)[C@@H](C)O)C(=O)O)CC1 | 10.1016/j.bmc.2017.12.014 | |||||
91928728 | 213184 | None | 17 | Human | Binding | pIC50 | = | 9.7 | 9.7 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | |||||
CHEMBL267633 | 213184 | None | 17 | Human | Binding | pIC50 | = | 9.7 | 9.7 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | |||||
CHEMBL2392022 | 212872 | None | 0 | Human | Binding | pIC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.01.025 | |||||
CHEMBL4208191 | 215719 | None | 0 | Human | Binding | pIC50 | = | 9.6 | 9.6 | - | 0 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
16147801 | 80522 | None | 0 | Rat | Binding | pIC50 | = | 9.6 | 9.6 | - | 0 | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342360 | 80522 | None | 0 | Rat | Binding | pIC50 | = | 9.6 | 9.6 | - | 0 | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931424 | 80522 | None | 0 | Rat | Binding | pIC50 | = | 9.6 | 9.6 | - | 0 | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL214707 | 80522 | None | 0 | Rat | Binding | pIC50 | = | 9.6 | 9.6 | - | 0 | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
72548703 | 161661 | None | 0 | Human | Binding | pIC50 | = | 9.6 | 9.6 | - | 0 | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
CHEMBL4128926 | 161661 | None | 0 | Human | Binding | pIC50 | = | 9.6 | 9.6 | - | 0 | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
CHEMBL4207076 | 215716 | None | 0 | Human | Binding | pIC50 | = | 9.5 | 9.5 | - | 0 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
44342809 | 161391 | None | 0 | Rat | Binding | pIC50 | = | 9.5 | 9.5 | - | 0 | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
91931442 | 161391 | None | 0 | Rat | Binding | pIC50 | = | 9.5 | 9.5 | - | 0 | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
CHEMBL412257 | 161391 | None | 0 | Rat | Binding | pIC50 | = | 9.5 | 9.5 | - | 0 | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
CHEMBL4210786 | 215724 | None | 0 | Human | Binding | pIC50 | = | 9.5 | 9.5 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
91928728 | 213184 | None | 17 | Human | Binding | pIC50 | = | 9.5 | 9.5 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | |||||
CHEMBL267633 | 213184 | None | 17 | Human | Binding | pIC50 | = | 9.5 | 9.5 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | |||||
16146061 | 169060 | None | 0 | Rat | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44342840 | 169060 | None | 0 | Rat | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
91931430 | 169060 | None | 0 | Rat | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL438923 | 169060 | None | 0 | Rat | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL441007 | 216337 | None | 0 | Human | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4212927 | 215733 | None | 0 | Human | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4211953 | 215730 | None | 0 | Human | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4211310 | 215726 | None | 0 | Human | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
1505 | 2881 | None | 0 | Rat | Binding | pIC50 | = | 9.4 | 9.4 | - | 4 | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
CHEMBL441396 | 2881 | None | 0 | Rat | Binding | pIC50 | = | 9.4 | 9.4 | - | 4 | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
CHEMBL4204797 | 215707 | None | 0 | Human | Binding | pIC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4216864 | 215739 | None | 0 | Human | Binding | pIC50 | = | 9.3 | 9.3 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137639373 | 156778 | None | 0 | Human | Binding | pIC50 | = | 9.3 | 9.3 | - | 0 | ChEMBL | 1860 | 56 | 27 | 23 | -4.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4069788 | 156778 | None | 0 | Human | Binding | pIC50 | = | 9.3 | 9.3 | - | 0 | ChEMBL | 1860 | 56 | 27 | 23 | -4.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
1504 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.3 | 9.3 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
1518 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.3 | 9.3 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
1521 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.3 | 9.3 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.3 | 9.3 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.3 | 9.3 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.3 | 9.3 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.3 | 9.3 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pIC50 | = | 9.3 | 9.3 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/S0960-894X(00)80696-4 | |||||
CHEMBL4207590 | 215717 | None | 0 | Human | Binding | pIC50 | = | 9.3 | 9.3 | - | 0 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137637360 | 156212 | None | 0 | Human | Binding | pIC50 | = | 9.3 | 9.3 | - | 0 | ChEMBL | 1864 | 58 | 29 | 24 | -6.5 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4063306 | 156212 | None | 0 | Human | Binding | pIC50 | = | 9.3 | 9.3 | - | 0 | ChEMBL | 1864 | 58 | 29 | 24 | -6.5 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL411200 | 215331 | None | 0 | Rat | Binding | pIC50 | = | 9.3 | 9.3 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||||
137638459 | 156787 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | 4047 | 129 | 61 | 56 | -16.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@H](C)O)C(C)C | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4069932 | 156787 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | 4047 | 129 | 61 | 56 | -16.9 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@H](C)O)C(C)C | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4202723 | 215703 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@](C)(CC)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL439904 | 216315 | None | 12 | Human | Binding | pIC50 | = | 9.2 | 9.2 | 50 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL439904 | 216315 | None | 12 | Human | Binding | pIC50 | = | 9.2 | 9.2 | 50 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2017.06.055 | |||||
CHEMBL4206938 | 215715 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL266021 | 213132 | None | 0 | Rat | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||||
CHEMBL412698 | 215478 | None | 0 | Rat | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137634023 | 156723 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | 1892 | 58 | 31 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4069205 | 156723 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | 1892 | 58 | 31 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL410938 | 215311 | None | 0 | Rat | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL441007 | 216337 | None | 0 | Rat | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4208856 | 215720 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137651823 | 157271 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4075597 | 157271 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137655430 | 158900 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4094429 | 158900 | None | 0 | Human | Binding | pIC50 | = | 9.2 | 9.2 | - | 0 | ChEMBL | 1865 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4208023 | 215718 | None | 0 | Human | Binding | pIC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL269267 | 213243 | None | 0 | Rat | Binding | pIC50 | = | 9.0 | 9.0 | - | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4206417 | 215713 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137637657 | 156330 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4064778 | 156330 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
137637657 | 156330 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4064778 | 156330 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1807 | 56 | 28 | 24 | -7.4 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137646370 | 158121 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1823 | 56 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4085697 | 158121 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1823 | 56 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137644502 | 158565 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1799 | 55 | 28 | 23 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090786 | 158565 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1799 | 55 | 28 | 23 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL412698 | 215478 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL430274 | 216077 | None | 0 | Rat | Binding | pIC50 | = | 9 | 9.0 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
16147483 | 141556 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342359 | 141556 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931420 | 141556 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL384306 | 141556 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL411637 | 215413 | None | 0 | Rat | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL410792 | 215301 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137658962 | 159163 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1840 | 57 | 28 | 23 | -6.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4097195 | 159163 | None | 0 | Human | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1840 | 57 | 28 | 23 | -6.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
16147483 | 141556 | None | 0 | Rat | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342359 | 141556 | None | 0 | Rat | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931420 | 141556 | None | 0 | Rat | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL384306 | 141556 | None | 0 | Rat | Binding | pIC50 | = | 9.0 | 9.0 | - | 0 | ChEMBL | 1939 | 63 | 29 | 25 | -7.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL429905 | 216008 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4203253 | 215705 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137641708 | 158494 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1850 | 57 | 29 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090092 | 158494 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1850 | 57 | 29 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL269267 | 213243 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | 13 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4210343 | 215723 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137632397 | 156377 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1849 | 57 | 28 | 23 | -5.4 | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065281 | 156377 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1849 | 57 | 28 | 23 | -5.4 | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
16145166 | 161521 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342931 | 161521 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931431 | 161521 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL412704 | 161521 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
16147801 | 80522 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342360 | 80522 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931424 | 80522 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL214707 | 80522 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1989 | 63 | 30 | 26 | -7.7 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
137661485 | 159568 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4101589 | 159568 | None | 0 | Human | Binding | pIC50 | = | 8.9 | 8.9 | - | 0 | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137643080 | 158559 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4090700 | 158559 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137638723 | 157068 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4073010 | 157068 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||
CHEMBL4211438 | 215727 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137638723 | 157068 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4073010 | 157068 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1849 | 56 | 28 | 23 | -5.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137634780 | 156074 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1894 | 60 | 30 | 24 | -5.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4061596 | 156074 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1894 | 60 | 30 | 24 | -5.7 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
44342809 | 161391 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
91931442 | 161391 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
CHEMBL412257 | 161391 | None | 0 | Human | Binding | pIC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 1989 | 66 | 30 | 26 | -7.3 | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||
CHEMBL4211441 | 215728 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4212566 | 215731 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL413612 | 215537 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL262221 | 212992 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(c1ccccc1)c1ccccc1 | 10.1021/jm000052z | |||||
56670260 | 65059 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 564 | 9 | 1 | 4 | 6.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823360 | 65059 | None | 0 | Human | Binding | pIC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 564 | 9 | 1 | 4 | 6.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
10324083 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
3504 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL21283 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2009.06.035 | |||
10324083 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
3504 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21283 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2013.11.061 | |||
58870680 | 104560 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 516 | 10 | 1 | 4 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(Cl)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104192 | 104560 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 516 | 10 | 1 | 4 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(Cl)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870667 | 104565 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 498 | 10 | 2 | 5 | 4.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(O)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104197 | 104565 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 498 | 10 | 2 | 5 | 4.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(O)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
10324083 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2011.06.136 | |||
3504 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL21283 | 2147 | None | 26 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 4 | ChEMBL | 510 | 7 | 0 | 4 | 5.6 | N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1 | 10.1016/j.bmcl.2011.06.136 | |||
56677101 | 65047 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 519 | 7 | 1 | 5 | 6.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823348 | 65047 | None | 0 | Human | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 519 | 7 | 1 | 5 | 6.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL438935 | 216275 | None | 0 | Rat | Binding | pIC50 | = | 7 | 7.0 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
44329354 | 112052 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 432 | 10 | 0 | 3 | 6.1 | CC(C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL328861 | 112052 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 432 | 10 | 0 | 3 | 6.1 | CC(C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
10456979 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL95501 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
11272082 | 83292 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 504 | 6 | 0 | 4 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21877 | 83292 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 504 | 6 | 0 | 4 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
10456979 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL95501 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
11272082 | 83292 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 504 | 6 | 0 | 4 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21877 | 83292 | None | 0 | Human | Binding | pIC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 504 | 6 | 0 | 4 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
44329247 | 112051 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 430 | 10 | 0 | 3 | 6.0 | CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL328860 | 112051 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 430 | 10 | 0 | 3 | 6.0 | CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
11431881 | 78303 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21071 | 78303 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
9820766 | 165341 | None | 27 | Rat | Binding | pIC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 371 | 4 | 1 | 6 | 3.7 | CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | |||
CHEMBL422942 | 165341 | None | 27 | Rat | Binding | pIC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 371 | 4 | 1 | 6 | 3.7 | CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] | 10.1016/0960-894X(96)00319-8 | |||
44329247 | 112051 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 430 | 10 | 0 | 3 | 6.0 | CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL328860 | 112051 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 430 | 10 | 0 | 3 | 6.0 | CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
11431881 | 78303 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21071 | 78303 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
42647273 | 104535 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 464 | 7 | 0 | 5 | 4.8 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104119 | 104535 | None | 0 | Human | Binding | pIC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 464 | 7 | 0 | 5 | 4.8 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
16146329 | 82512 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342802 | 82512 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931419 | 82512 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL217692 | 82512 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
42628839 | 104548 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 486 | 8 | 0 | 7 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104180 | 104548 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 486 | 8 | 0 | 7 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
137643148 | 158166 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4086266 | 158166 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
56659931 | 65053 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 543 | 8 | 2 | 5 | 5.5 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823354 | 65053 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 543 | 8 | 2 | 5 | 5.5 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
137651435 | 157383 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4076934 | 157383 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL405527 | 215024 | None | 0 | Rat | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
16146329 | 82512 | None | 0 | Rat | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342802 | 82512 | None | 0 | Rat | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931419 | 82512 | None | 0 | Rat | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL217692 | 82512 | None | 0 | Rat | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
58055756 | 104529 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 467 | 7 | 0 | 6 | 4.4 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)ns3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104113 | 104529 | None | 0 | Human | Binding | pIC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 467 | 7 | 0 | 6 | 4.4 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)ns3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11306287 | 82434 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 485 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21728 | 82434 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 485 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11203422 | 83398 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 533 | 7 | 0 | 3 | 6.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21935 | 83398 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 533 | 7 | 0 | 3 | 6.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11409805 | 169239 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 519 | 7 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL440278 | 169239 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 519 | 7 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11306287 | 82434 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 485 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21728 | 82434 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 485 | 6 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
44274435 | 167901 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 493 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL430532 | 167901 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 493 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
76321092 | 104589 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)[C@H]3C[C@@H]3c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104221 | 104589 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)[C@H]3C[C@@H]3c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
10916418 | 207597 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 401 | 5 | 2 | 3 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc21 | 10.1021/jm0004547 | |||
CHEMBL78040 | 207597 | None | 0 | Human | Binding | pIC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 401 | 5 | 2 | 3 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc21 | 10.1021/jm0004547 | |||
CHEMBL274850 | 213275 | None | 0 | Rat | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
CHEMBL383861 | 214774 | None | 0 | Rat | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
16667091 | 104568 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 481 | 10 | 1 | 3 | 6.1 | CCC(CC)C(=O)Nc1ccc(N2CCC(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104200 | 104568 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 481 | 10 | 1 | 3 | 6.1 | CCC(CC)C(=O)Nc1ccc(N2CCC(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
137648110 | 157782 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4081798 | 157782 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
71713780 | 91428 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 535 | 8 | 2 | 3 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402905 | 91428 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 535 | 8 | 2 | 3 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
16667090 | 91456 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 521 | 8 | 2 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403028 | 91456 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 521 | 8 | 2 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
11236982 | 75432 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20400 | 75432 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11237245 | 84313 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 493 | 11 | 0 | 3 | 5.7 | C=CCN(CCCN(C(=O)/C=C/c1ccccc1)c1ccc2c(c1)N(C(C)=O)CC2)Cc1ccccc1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22131 | 84313 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 493 | 11 | 0 | 3 | 5.7 | C=CCN(CCCN(C(=O)/C=C/c1ccccc1)c1ccc2c(c1)N(C(C)=O)CC2)Cc1ccccc1 | 10.1016/j.bmcl.2003.12.057 | |||
11328497 | 168196 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 453 | 9 | 1 | 3 | 4.8 | CC(=O)N1CCc2ccc(N(CCCNCc3ccccc3)C(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL432651 | 168196 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 453 | 9 | 1 | 3 | 4.8 | CC(=O)N1CCc2ccc(N(CCCNCc3ccccc3)C(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11236982 | 75432 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20400 | 75432 | None | 0 | Human | Binding | pIC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccncc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL4224861 | 215751 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
CHEMBL4225372 | 215757 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
56672399 | 65072 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 489 | 10 | 1 | 5 | 4.7 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823575 | 65072 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 489 | 10 | 1 | 5 | 4.7 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.06.136 | |||
58055771 | 104552 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104184 | 104552 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL386822 | 214854 | None | 0 | Rat | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
CHEMBL2440185 | 212934 | None | 0 | Human | Binding | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | |||||
58870752 | 104570 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 520 | 9 | 1 | 5 | 5.5 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104202 | 104570 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 520 | 9 | 1 | 5 | 5.5 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
25151875 | 65075 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823578 | 65075 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL429905 | 216008 | None | 0 | Rat | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL412378 | 215448 | None | 0 | Human | Binding | pIC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL3578015 | 214226 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578015 | 214226 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
11752266 | 99245 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL281387 | 99245 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11752266 | 99245 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL281387 | 99245 | None | 0 | Human | Binding | pIC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 493 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
1507 | 2883 | None | 0 | Rat | Binding | pIC50 | = | 7.8 | 7.8 | - | 7 | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
44351001 | 2883 | None | 0 | Rat | Binding | pIC50 | = | 7.8 | 7.8 | - | 7 | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
91929182 | 2883 | None | 0 | Rat | Binding | pIC50 | = | 7.8 | 7.8 | - | 7 | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
CHEMBL265849 | 2883 | None | 0 | Rat | Binding | pIC50 | = | 7.8 | 7.8 | - | 7 | ChEMBL | None | None | None | None | 10.1021/jm00007a012 | |||||
16058735 | 91455 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 493 | 7 | 3 | 5 | 5.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403027 | 91455 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 493 | 7 | 3 | 5 | 5.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
68873961 | 104544 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 479 | 9 | 1 | 6 | 5.1 | CCc1nc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104176 | 104544 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 479 | 9 | 1 | 6 | 5.1 | CCc1nc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
58870776 | 104567 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 518 | 10 | 1 | 4 | 5.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3F)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104199 | 104567 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 518 | 10 | 1 | 4 | 5.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3F)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
56680424 | 65057 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 461 | 9 | 2 | 5 | 3.9 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823358 | 65057 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 461 | 9 | 2 | 5 | 3.9 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
11156574 | 84293 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 515 | 7 | 0 | 4 | 4.7 | CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22119 | 84293 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 515 | 7 | 0 | 4 | 4.7 | CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11156574 | 84293 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 515 | 7 | 0 | 4 | 4.7 | CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL22119 | 84293 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 515 | 7 | 0 | 4 | 4.7 | CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL438935 | 216275 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL415176 | 215637 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
16667180 | 104573 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 522 | 8 | 2 | 6 | 4.8 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104205 | 104573 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 522 | 8 | 2 | 6 | 4.8 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL4205282 | 215709 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL262221 | 212992 | None | 0 | Rat | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)C(c1ccccc1)c1ccccc1 | 10.1021/jm000052z | |||||
CHEMBL266077 | 213134 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | |||||
58055782 | 104534 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 469 | 8 | 0 | 6 | 4.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CF)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104118 | 104534 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 469 | 8 | 0 | 6 | 4.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CF)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11375032 | 82161 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCCN(Cc4ccccc4)C3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21670 | 82161 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCCN(Cc4ccccc4)C3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
58870735 | 91454 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 502 | 7 | 3 | 3 | 6.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403026 | 91454 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 502 | 7 | 3 | 3 | 6.2 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
16667331 | 65051 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 441 | 8 | 1 | 5 | 4.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823352 | 65051 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 441 | 8 | 1 | 5 | 4.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2011.06.136 | |||
137649292 | 157346 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 1726 | 55 | 26 | 20 | -3.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4076542 | 157346 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 1726 | 55 | 26 | 20 | -3.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
67678347 | 104592 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 493 | 9 | 1 | 6 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C(C)C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104227 | 104592 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 493 | 9 | 1 | 6 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C(C)C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
44274493 | 99358 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 469 | 6 | 0 | 5 | 3.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C3N=CC=N3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL282057 | 99358 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 469 | 6 | 0 | 5 | 3.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C3N=CC=N3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11397239 | 104585 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 469 | 6 | 1 | 4 | 4.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ncc[nH]3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104217 | 104585 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 469 | 6 | 1 | 4 | 4.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ncc[nH]3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL386823 | 214855 | None | 11 | Rat | Binding | pIC50 | = | 6.8 | 6.8 | - | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
11294247 | 83490 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 465 | 6 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)C3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21997 | 83490 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 465 | 6 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)C3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL414482 | 215593 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
58870814 | 104562 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 512 | 11 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104194 | 104562 | None | 0 | Human | Binding | pIC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 512 | 11 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
16131943 | 169017 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 2219 | 73 | 32 | 30 | -8.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | |||
44384119 | 169017 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 2219 | 73 | 32 | 30 | -8.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | |||
CHEMBL438580 | 169017 | None | 0 | Human | Binding | pIC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 2219 | 73 | 32 | 30 | -8.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1016/S0960-894X(00)80696-4 | |||
11454489 | 84275 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 481 | 7 | 0 | 3 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22105 | 84275 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 481 | 7 | 0 | 3 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11454489 | 84275 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 481 | 7 | 0 | 3 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL22105 | 84275 | None | 0 | Human | Binding | pIC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 481 | 7 | 0 | 3 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
16147480 | 96661 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342928 | 96661 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931445 | 96661 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL263350 | 96661 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
1562 | 899 | None | 11 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 2 | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
5312114 | 899 | None | 11 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 2 | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL17645 | 899 | None | 11 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 2 | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
CHEMBL195380 | 899 | None | 11 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 2 | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | |||
11214627 | 76035 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 524 | 7 | 0 | 5 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20553 | 76035 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 524 | 7 | 0 | 5 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11214627 | 76035 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 524 | 7 | 0 | 5 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20553 | 76035 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 524 | 7 | 0 | 5 | 5.2 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58055769 | 104555 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 492 | 8 | 0 | 6 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)n(C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104187 | 104555 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 492 | 8 | 0 | 6 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)n(C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
91928728 | 213184 | None | 17 | Rat | Binding | pIC50 | = | 8.7 | 8.7 | - | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | |||||
CHEMBL267633 | 213184 | None | 17 | Rat | Binding | pIC50 | = | 8.7 | 8.7 | - | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm000052z | |||||
137653207 | 158736 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | 1837 | 57 | 29 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4092494 | 158736 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | 1837 | 57 | 29 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL410938 | 215311 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL428320 | 215897 | None | 0 | Human | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL438096 | 216210 | None | 0 | Rat | Binding | pIC50 | = | 8.7 | 8.7 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL413612 | 215537 | None | 0 | Rat | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4214907 | 215737 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CCC(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
137660673 | 159312 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1823 | 55 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4098787 | 159312 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1823 | 55 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4217524 | 215743 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL412378 | 215448 | None | 0 | Rat | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137649686 | 157250 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4075287 | 157250 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137636973 | 156308 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4064467 | 156308 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1781 | 54 | 28 | 23 | -7.1 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL430274 | 216077 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL427594 | 215814 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137642856 | 158549 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1842 | 59 | 29 | 23 | -5.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4090636 | 158549 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1842 | 59 | 29 | 23 | -5.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
16146616 | 166816 | None | 0 | Rat | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44342628 | 166816 | None | 0 | Rat | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
91931428 | 166816 | None | 0 | Rat | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL428292 | 166816 | None | 0 | Rat | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
137639719 | 156878 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1823 | 57 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4070864 | 156878 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1823 | 57 | 28 | 23 | -6.1 | CC(=O)N[C@@H](CO)C(=O)N(C)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137659071 | 159407 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4099784 | 159407 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137657064 | 159735 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4103628 | 159735 | None | 0 | Human | Binding | pIC50 | = | 8.6 | 8.6 | - | 0 | ChEMBL | 1833 | 56 | 29 | 24 | -7.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
16667181 | 104572 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 521 | 9 | 1 | 6 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104204 | 104572 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 521 | 9 | 1 | 6 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
16665228 | 104575 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 556 | 9 | 1 | 4 | 6.0 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104207 | 104575 | None | 0 | Human | Binding | pIC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 556 | 9 | 1 | 4 | 6.0 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
58870679 | 104559 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 500 | 10 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104191 | 104559 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 500 | 10 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
2936384 | 47205 | None | 32 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1543306 | 47205 | None | 32 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 446 | 6 | 2 | 3 | 5.4 | CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2011.06.136 | |||
56672399 | 65072 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 489 | 10 | 1 | 5 | 4.7 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823575 | 65072 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 489 | 10 | 1 | 5 | 4.7 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2011.06.136 | |||
3198 | 207971 | None | 50 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -46 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 207971 | None | 50 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -46 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 207971 | None | 50 | Human | Binding | pIC50 | = | 4.7 | 4.7 | -46 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL406275 | 215061 | None | 0 | Rat | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
42647272 | 104553 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)o3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104185 | 104553 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)o3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
20773956 | 65048 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 506 | 7 | 1 | 6 | 5.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823349 | 65048 | None | 0 | Human | Binding | pIC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 506 | 7 | 1 | 6 | 5.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
44329428 | 210730 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 394 | 9 | 0 | 3 | 5.8 | CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL98875 | 210730 | None | 0 | Human | Binding | pIC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 394 | 9 | 0 | 3 | 5.8 | CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1 | 10.1016/s0960-894x(03)00554-7 | |||
11375033 | 99105 | None | 0 | Human | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL280372 | 99105 | None | 0 | Human | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11453411 | 99446 | None | 0 | Human | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 437 | 6 | 1 | 3 | 5.4 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL282667 | 99446 | None | 0 | Human | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 437 | 6 | 1 | 3 | 5.4 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
11453411 | 99446 | None | 0 | Human | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 437 | 6 | 1 | 3 | 5.4 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL282667 | 99446 | None | 0 | Human | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 437 | 6 | 1 | 3 | 5.4 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
76324741 | 104590 | None | 0 | Human | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104222 | 104590 | None | 0 | Human | Binding | pIC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
137634335 | 156475 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4066409 | 156475 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
11477689 | 162818 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 507 | 8 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL417100 | 162818 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 507 | 8 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11477689 | 162818 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 507 | 8 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL417100 | 162818 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 507 | 8 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL4224694 | 215748 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
71713781 | 91429 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 536 | 8 | 2 | 4 | 6.3 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402906 | 91429 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 536 | 8 | 2 | 4 | 6.3 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
42647046 | 104530 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 465 | 8 | 0 | 6 | 4.2 | CCc1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104114 | 104530 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 465 | 8 | 0 | 6 | 4.2 | CCc1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
69670041 | 104539 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 451 | 8 | 1 | 6 | 4.5 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncno3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104123 | 104539 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 451 | 8 | 1 | 6 | 4.5 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncno3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
20773958 | 65042 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 506 | 7 | 1 | 6 | 5.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823343 | 65042 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 506 | 7 | 1 | 6 | 5.0 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
58870638 | 104569 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 481 | 8 | 1 | 4 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)C3CCOC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104201 | 104569 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 481 | 8 | 1 | 4 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)C3CCOC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
56659929 | 65040 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 464 | 6 | 1 | 5 | 5.1 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823341 | 65040 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 464 | 6 | 1 | 5 | 5.1 | COc1cccnc1C(=O)N1CCN(c2ccc(NC(C)(C)c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
56673775 | 65046 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 530 | 7 | 1 | 6 | 5.5 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823347 | 65046 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 530 | 7 | 1 | 6 | 5.5 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
11203099 | 81567 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 515 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21605 | 81567 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 515 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11203099 | 81567 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 515 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21605 | 81567 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 515 | 6 | 0 | 3 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(F)cc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58870642 | 104564 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 566 | 11 | 1 | 5 | 5.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104196 | 104564 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 566 | 11 | 1 | 5 | 5.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870729 | 104586 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 507 | 8 | 1 | 6 | 4.4 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104218 | 104586 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 507 | 8 | 1 | 6 | 4.4 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11271868 | 98959 | None | 0 | Human | Binding | pIC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 493 | 7 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL279289 | 98959 | None | 0 | Human | Binding | pIC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 493 | 7 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11271868 | 98959 | None | 0 | Human | Binding | pIC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 493 | 7 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL279289 | 98959 | None | 0 | Human | Binding | pIC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 493 | 7 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
1526 | 2305 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL438411 | 2305 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
10429613 | 163434 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
CHEMBL419086 | 163434 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | |||
69670197 | 104540 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 465 | 8 | 1 | 6 | 4.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104124 | 104540 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 465 | 8 | 1 | 6 | 4.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
69670211 | 104541 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 479 | 9 | 1 | 6 | 5.1 | CCc1noc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)n1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104125 | 104541 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 479 | 9 | 1 | 6 | 5.1 | CCc1noc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)n1 | 10.1016/j.bmcl.2013.11.061 | |||
71713935 | 91453 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 550 | 8 | 3 | 3 | 7.3 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403025 | 91453 | None | 0 | Human | Binding | pIC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 550 | 8 | 3 | 3 | 7.3 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
58055759 | 104531 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 477 | 8 | 0 | 6 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104115 | 104531 | None | 0 | Human | Binding | pIC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 477 | 8 | 0 | 6 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL269544 | 213255 | None | 0 | Rat | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
11318800 | 77164 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20773 | 77164 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11318105 | 83663 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 505 | 7 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22046 | 83663 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 505 | 7 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11318800 | 77164 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20773 | 77164 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11318105 | 83663 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 505 | 7 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL22046 | 83663 | None | 0 | Human | Binding | pIC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 505 | 7 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
68872605 | 104543 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 493 | 9 | 1 | 6 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nnc(C(C)C)o3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104175 | 104543 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 493 | 9 | 1 | 6 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nnc(C(C)C)o3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
11306461 | 83485 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 493 | 5 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21992 | 83485 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 493 | 5 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11306461 | 83485 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 493 | 5 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21992 | 83485 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 493 | 5 | 0 | 3 | 4.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(C(=O)c4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL275220 | 213279 | None | 0 | Rat | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
CHEMBL268351 | 213208 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
137641937 | 158495 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 1884 | 56 | 28 | 24 | -6.0 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4090126 | 158495 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 1884 | 56 | 28 | 24 | -6.0 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccncc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL411637 | 215413 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL428320 | 215897 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
71719108 | 86085 | None | 1 | Human | Binding | pIC50 | = | 8.5 | 8.5 | 125 | 4 | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL2307889 | 86085 | None | 1 | Human | Binding | pIC50 | = | 8.5 | 8.5 | 125 | 4 | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL4209661 | 215721 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
16147480 | 96661 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342928 | 96661 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931445 | 96661 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL263350 | 96661 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | 1926 | 59 | 27 | 25 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL427594 | 215814 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4226958 | 215766 | None | 0 | Human | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1016/j.bmc.2017.12.014 | |||||
CHEMBL410792 | 215301 | None | 0 | Rat | Binding | pIC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4213780 | 215735 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL411200 | 215331 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||||
CHEMBL4216997 | 215741 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | None | None | None | CC[C@@](C)(NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL425095 | 215791 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL428017 | 215863 | None | 18 | Human | Binding | pIC50 | = | 8.4 | 8.4 | 41 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
56659932 | 65055 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 544 | 8 | 2 | 6 | 4.9 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823356 | 65055 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 544 | 8 | 2 | 6 | 4.9 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
76328289 | 104571 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 548 | 8 | 1 | 6 | 5.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3C(C)(C)C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104203 | 104571 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 548 | 8 | 1 | 6 | 5.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3C(C)(C)C)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
58870727 | 104580 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 466 | 9 | 1 | 4 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104212 | 104580 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 466 | 9 | 1 | 4 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11466430 | 83773 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22056 | 83773 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11466430 | 83773 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL22056 | 83773 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58870648 | 104579 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 494 | 9 | 1 | 4 | 5.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104211 | 104579 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 494 | 9 | 1 | 4 | 5.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL385245 | 214804 | None | 0 | Rat | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
11398198 | 77985 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 515 | 7 | 0 | 4 | 5.1 | CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20965 | 77985 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 515 | 7 | 0 | 4 | 5.1 | CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11443018 | 80625 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccn3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21502 | 80625 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccn3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11353113 | 80846 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 533 | 6 | 0 | 3 | 5.8 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21523 | 80846 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 533 | 6 | 0 | 3 | 5.8 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
11364830 | 81099 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3C(F)(F)F)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21545 | 81099 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3C(F)(F)F)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11225709 | 81590 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 496 | 6 | 0 | 4 | 3.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc[n+]([O-])cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21616 | 81590 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 496 | 6 | 0 | 4 | 3.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc[n+]([O-])cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11408945 | 82448 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 477 | 6 | 0 | 4 | 6.0 | CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21737 | 82448 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 477 | 6 | 0 | 4 | 6.0 | CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11165586 | 84387 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 403 | 5 | 0 | 3 | 3.8 | C=CC(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22174 | 84387 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 403 | 5 | 0 | 3 | 3.8 | C=CC(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.057 | |||
11465776 | 98891 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL278795 | 98891 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11340260 | 98928 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL279044 | 98928 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11453755 | 98988 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 451 | 6 | 1 | 3 | 4.9 | O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL279493 | 98988 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 451 | 6 | 1 | 3 | 4.9 | O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1 | 10.1016/j.bmcl.2003.12.057 | |||
11261330 | 169401 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL441516 | 169401 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11398198 | 77985 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 515 | 7 | 0 | 4 | 5.1 | CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20965 | 77985 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 515 | 7 | 0 | 4 | 5.1 | CC(=O)N1CCc2ccc(N(C3CCN(Cc4ccccc4)CC3)S(=O)(=O)/C=C/c3ccccc3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11353113 | 80846 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 533 | 6 | 0 | 3 | 5.8 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21523 | 80846 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 533 | 6 | 0 | 3 | 5.8 | O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11408945 | 82448 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 477 | 6 | 0 | 4 | 6.0 | CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21737 | 82448 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 477 | 6 | 0 | 4 | 6.0 | CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11465776 | 98891 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL278795 | 98891 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 480 | 6 | 0 | 4 | 4.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccnc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11340260 | 98928 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL279044 | 98928 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 5.8 | CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11453755 | 98988 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 451 | 6 | 1 | 3 | 4.9 | O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL279493 | 98988 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 451 | 6 | 1 | 3 | 4.9 | O=C1Cc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc2N1 | 10.1016/j.bmcl.2013.11.061 | |||
76335552 | 104588 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 417 | 5 | 0 | 3 | 4.2 | C/C=C/C(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104220 | 104588 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 417 | 5 | 0 | 3 | 4.2 | C/C=C/C(=O)N(c1ccc2c(c1)N(C(C)=O)CC2)C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11261330 | 169401 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL441516 | 169401 | None | 0 | Human | Binding | pIC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL428097 | 215873 | None | 0 | Rat | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
11294696 | 82175 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 485 | 6 | 0 | 4 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21679 | 82175 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 485 | 6 | 0 | 4 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11294696 | 82175 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 485 | 6 | 0 | 4 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21679 | 82175 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 485 | 6 | 0 | 4 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
69669928 | 104547 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 461 | 8 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncccn3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104179 | 104547 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 461 | 8 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncccn3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
16667279 | 104582 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 500 | 10 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(F)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104214 | 104582 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 500 | 10 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(F)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870763 | 104566 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 518 | 10 | 1 | 4 | 5.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)c(F)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104198 | 104566 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 518 | 10 | 1 | 4 | 5.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)c(F)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
11330404 | 99519 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 557 | 6 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL283106 | 99519 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 557 | 6 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11330404 | 99519 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 557 | 6 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL283106 | 99519 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 557 | 6 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(Br)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
44128297 | 104546 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 453 | 8 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)C3CCOC3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104178 | 104546 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 453 | 8 | 1 | 4 | 5.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)C3CCOC3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
76321090 | 104556 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 493 | 8 | 1 | 5 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(=O)n(C(C)C)[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104188 | 104556 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 493 | 8 | 1 | 5 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(=O)n(C(C)C)[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
76321091 | 104587 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 520 | 9 | 1 | 6 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3CC)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104219 | 104587 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 520 | 9 | 1 | 6 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3CC)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
56659930 | 65052 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 536 | 8 | 2 | 4 | 5.7 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823353 | 65052 | None | 0 | Human | Binding | pIC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 536 | 8 | 2 | 4 | 5.7 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
10369730 | 83413 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 530 | 8 | 0 | 5 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21941 | 83413 | None | 0 | Human | Binding | pIC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 530 | 8 | 0 | 5 | 5.6 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11236647 | 98952 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 4.9 | O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL279236 | 98952 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 4.9 | O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11236647 | 98952 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 4.9 | O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL279236 | 98952 | None | 0 | Human | Binding | pIC50 | = | 5.5 | 5.5 | - | 0 | ChEMBL | 465 | 7 | 0 | 3 | 4.9 | O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11489162 | 82477 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21753 | 82477 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11375413 | 83343 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 497 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21907 | 83343 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 497 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11489162 | 82477 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21753 | 82477 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 513 | 6 | 0 | 3 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccc(Cl)cc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
11375413 | 83343 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 497 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21907 | 83343 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 497 | 6 | 0 | 3 | 5.4 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL409457 | 215225 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
16667135 | 91452 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 506 | 8 | 1 | 5 | 5.6 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403024 | 91452 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 506 | 8 | 1 | 5 | 5.6 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
56670258 | 65043 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 524 | 7 | 1 | 6 | 5.2 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823344 | 65043 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 524 | 7 | 1 | 6 | 5.2 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
56680425 | 65058 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 571 | 9 | 1 | 5 | 6.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823359 | 65058 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 571 | 9 | 1 | 5 | 6.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL439356 | 216299 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
16667089 | 65056 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 454 | 9 | 2 | 4 | 4.2 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823357 | 65056 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 454 | 9 | 2 | 4 | 4.2 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
44329396 | 210182 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 444 | 10 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL95660 | 210182 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 444 | 10 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
76324740 | 104441 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 444 | 10 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3102872 | 104441 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 444 | 10 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
69089436 | 104545 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 464 | 8 | 1 | 5 | 5.4 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3cc(C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104177 | 104545 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 464 | 8 | 1 | 5 | 5.4 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3cc(C)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
11249185 | 82025 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 507 | 6 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21652 | 82025 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 507 | 6 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11249185 | 82025 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 507 | 6 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21652 | 82025 | None | 0 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 507 | 6 | 0 | 3 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cc(C)cc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
16146920 | 156047 | None | 0 | Rat | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342653 | 156047 | None | 0 | Rat | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931439 | 156047 | None | 0 | Rat | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL406128 | 156047 | None | 0 | Rat | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL413233 | 215518 | None | 0 | Rat | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccsc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL4205712 | 215710 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.08.044 | |||||
CHEMBL4225031 | 215754 | None | 0 | Human | Binding | pIC50 | = | 8.4 | 8.4 | - | 0 | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCNC(=O)C1CCNCC1)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1016/j.bmc.2017.12.014 | |||||
137640909 | 157125 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1809 | 57 | 29 | 23 | -6.5 | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4073606 | 157125 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1809 | 57 | 29 | 23 | -6.5 | CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
58870651 | 104584 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 512 | 11 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(OC)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104216 | 104584 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 512 | 11 | 1 | 5 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(OC)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
56670259 | 65049 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 524 | 7 | 1 | 6 | 5.2 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823350 | 65049 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 524 | 7 | 1 | 6 | 5.2 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL406383 | 215067 | None | 0 | Rat | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00007a012 | |||||
6011884 | 162129 | None | 1 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL416005 | 162129 | None | 1 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
6011884 | 162129 | None | 1 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL416005 | 162129 | None | 1 | Human | Binding | pIC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 479 | 6 | 0 | 3 | 5.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL262202 | 212991 | None | 24 | Rat | Binding | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | 10.1021/jm00007a012 | |||||
16146920 | 156047 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342653 | 156047 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931439 | 156047 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL406128 | 156047 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
58055758 | 104551 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104183 | 104551 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
25151877 | 65054 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 537 | 8 | 2 | 5 | 5.1 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823355 | 65054 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 537 | 8 | 2 | 5 | 5.1 | CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
42644181 | 104440 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 445 | 7 | 0 | 3 | 5.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3102871 | 104440 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 445 | 7 | 0 | 3 | 5.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL385246 | 214805 | None | 0 | Rat | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
69305104 | 104561 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 507 | 10 | 1 | 5 | 4.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(C#N)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104193 | 104561 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 507 | 10 | 1 | 5 | 4.8 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(C#N)cc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870731 | 104563 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 526 | 12 | 1 | 5 | 5.3 | CCOc1ccc(C(C(=O)N(CC)CC)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)cc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104195 | 104563 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 526 | 12 | 1 | 5 | 5.3 | CCOc1ccc(C(C(=O)N(CC)CC)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)cc1 | 10.1016/j.bmcl.2013.11.061 | |||
71713624 | 91457 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 535 | 8 | 2 | 3 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403029 | 91457 | None | 0 | Human | Binding | pIC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 535 | 8 | 2 | 3 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
10456979 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
CHEMBL95501 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/s0960-894x(03)00554-7 | |||
10456979 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
CHEMBL95501 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2009.06.035 | |||
44329450 | 210227 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 428 | 8 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL95963 | 210227 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 428 | 8 | 0 | 3 | 6.1 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1 | 10.1016/j.bmcl.2013.11.061 | |||
10456979 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL95501 | 210150 | None | 0 | Human | Binding | pIC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 460 | 9 | 0 | 4 | 6.8 | CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 | 10.1016/j.bmcl.2011.06.136 | |||
58055783 | 104557 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 464 | 8 | 0 | 5 | 4.8 | CCc1cnc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)o1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104189 | 104557 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 464 | 8 | 0 | 5 | 4.8 | CCc1cnc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)o1 | 10.1016/j.bmcl.2013.11.061 | |||
71713784 | 91432 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 478 | 7 | 2 | 5 | 4.8 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402909 | 91432 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 478 | 7 | 2 | 5 | 4.8 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
58055738 | 104533 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 507 | 10 | 0 | 6 | 5.5 | CCC(CC)c1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104117 | 104533 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 507 | 10 | 0 | 6 | 5.5 | CCC(CC)c1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 | 10.1016/j.bmcl.2013.11.061 | |||
11295383 | 161950 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 521 | 8 | 0 | 4 | 5.3 | CC(=O)CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL414827 | 161950 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 521 | 8 | 0 | 4 | 5.3 | CC(=O)CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11387103 | 167403 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 537 | 7 | 0 | 5 | 4.9 | CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL429389 | 167403 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 537 | 7 | 0 | 5 | 4.9 | CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11387103 | 167403 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 537 | 7 | 0 | 5 | 4.9 | CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL429389 | 167403 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 537 | 7 | 0 | 5 | 4.9 | CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL414482 | 215593 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
16146918 | 161322 | None | 0 | Rat | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342536 | 161322 | None | 0 | Rat | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931438 | 161322 | None | 0 | Rat | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL411800 | 161322 | None | 0 | Rat | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL425095 | 215791 | None | 0 | Rat | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137637445 | 155894 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1859 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4059729 | 155894 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1859 | 56 | 29 | 24 | -6.6 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137646917 | 157780 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4081767 | 157780 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 1837 | 57 | 28 | 23 | -5.7 | CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL405527 | 215024 | None | 0 | Human | Binding | pIC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137635909 | 156045 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 1675 | 52 | 25 | 19 | -2.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4061266 | 156045 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 1675 | 52 | 25 | 19 | -2.3 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
58870834 | 104583 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 516 | 10 | 1 | 4 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(Cl)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104215 | 104583 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 516 | 10 | 1 | 4 | 5.6 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(Cl)c3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
16666511 | 65073 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 482 | 10 | 1 | 4 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823576 | 65073 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 482 | 10 | 1 | 4 | 4.9 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2011.06.136 | |||
11478324 | 85675 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 544 | 8 | 0 | 5 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL22840 | 85675 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 544 | 8 | 0 | 5 | 6.0 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
16146918 | 161322 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
44342536 | 161322 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
91931438 | 161322 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
CHEMBL411800 | 161322 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||
56673774 | 65045 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 523 | 7 | 1 | 5 | 5.8 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823346 | 65045 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 523 | 7 | 1 | 5 | 5.8 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
22499399 | 65044 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 505 | 7 | 1 | 5 | 5.6 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823345 | 65044 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 505 | 7 | 1 | 5 | 5.6 | COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
16666777 | 65050 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 423 | 8 | 1 | 5 | 4.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823351 | 65050 | None | 0 | Human | Binding | pIC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 423 | 8 | 1 | 5 | 4.1 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2011.06.136 | |||
11316909 | 76026 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 451 | 6 | 0 | 3 | 5.4 | CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL20549 | 76026 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 451 | 6 | 0 | 3 | 5.4 | CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11316909 | 76026 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 451 | 6 | 0 | 3 | 5.4 | CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL20549 | 76026 | None | 0 | Human | Binding | pIC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 451 | 6 | 0 | 3 | 5.4 | CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
1526 | 2305 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
CHEMBL438411 | 2305 | None | 0 | Rat | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | None | None | None | None | 10.1021/jm000052z | |||||
16146061 | 169060 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44342840 | 169060 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
91931430 | 169060 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL438923 | 169060 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL2111764 | 211677 | None | 0 | Human | Binding | pIC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
CHEMBL266021 | 213132 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm000052z | |||||
11307880 | 97276 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 595 | 7 | 0 | 4 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([S+]([O-])C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL268554 | 97276 | None | 0 | Human | Binding | pIC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 595 | 7 | 0 | 4 | 5.9 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([S+]([O-])C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
16146616 | 166816 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44342628 | 166816 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
91931428 | 166816 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
CHEMBL428292 | 166816 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/jm000052z | |||
44288395 | 162667 | None | 0 | Human | Binding | pIC50 | = | 4.2 | 4.2 | - | 0 | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL41686 | 162667 | None | 0 | Human | Binding | pIC50 | = | 4.2 | 4.2 | - | 0 | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | |||
25134625 | 65041 | None | 47 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL1823342 | 65041 | None | 47 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
25134625 | 65041 | None | 47 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823342 | 65041 | None | 47 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
137634108 | 156422 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065752 | 156422 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 1844 | 56 | 28 | 24 | -6.9 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL429698 | 216003 | None | 0 | Rat | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137635521 | 156227 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 1884 | 60 | 29 | 23 | -5.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4063520 | 156227 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 1884 | 60 | 29 | 23 | -5.1 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
10323693 | 80634 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 499 | 7 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21507 | 80634 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 499 | 7 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
10323693 | 80634 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 499 | 7 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21507 | 80634 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 499 | 7 | 0 | 3 | 6.1 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58055717 | 104532 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 493 | 7 | 0 | 6 | 4.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)(C)C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104116 | 104532 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 493 | 7 | 0 | 6 | 4.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)(C)C)n3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3578017 | 214228 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578017 | 214228 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
58870766 | 104578 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 482 | 8 | 1 | 5 | 3.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)[C@H]3CCOC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104210 | 104578 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 482 | 8 | 1 | 5 | 3.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)[C@H]3CCOC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
71713783 | 91431 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 537 | 7 | 2 | 3 | 6.0 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402908 | 91431 | None | 0 | Human | Binding | pIC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 537 | 7 | 2 | 3 | 6.0 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
42628851 | 104549 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 475 | 8 | 1 | 6 | 5.0 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3cccc(F)c3)c3ncco3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104181 | 104549 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 475 | 8 | 1 | 6 | 5.0 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3cccc(F)c3)c3ncco3)CC2)c(C#N)c1 | 10.1016/j.bmcl.2013.11.061 | |||
71713934 | 91451 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 564 | 9 | 1 | 4 | 7.0 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2403023 | 91451 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | 564 | 9 | 1 | 4 | 7.0 | CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL429698 | 216003 | None | 0 | Human | Binding | pIC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm000052z | |||||
137641883 | 158431 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1641 | 52 | 25 | 19 | -3.0 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4089420 | 158431 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1641 | 52 | 25 | 19 | -3.0 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137660151 | 159155 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4097131 | 159155 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
137639723 | 156931 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4071371 | 156931 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1727 | 53 | 26 | 20 | -2.8 | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4224865 | 215752 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
CHEMBL4226974 | 215767 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CC[C@](C)(NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCNC(=O)C1CCNCC1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.12.014 | |||||
58870759 | 104576 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 468 | 9 | 1 | 4 | 4.5 | CC[C@H](C)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104208 | 104576 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 468 | 9 | 1 | 4 | 4.5 | CC[C@H](C)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
58870644 | 104581 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 508 | 8 | 1 | 4 | 5.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(C)CCCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104213 | 104581 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 508 | 8 | 1 | 4 | 5.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(C)CCCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
71713782 | 91430 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 541 | 8 | 2 | 4 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccsc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
CHEMBL2402907 | 91430 | None | 0 | Human | Binding | pIC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 541 | 8 | 2 | 4 | 6.9 | CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccsc3)cc2F)CC1 | 10.1016/j.bmcl.2013.05.038 | |||
58870783 | 104574 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 564 | 9 | 1 | 4 | 6.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104206 | 104574 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 564 | 9 | 1 | 4 | 6.1 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
69670294 | 104593 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 527 | 9 | 1 | 6 | 6.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(-c4ccccc4)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104228 | 104593 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 527 | 9 | 1 | 6 | 6.2 | CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(-c4ccccc4)no3)CC2)c(F)c1 | 10.1016/j.bmcl.2013.11.061 | |||
42643943 | 104537 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 446 | 7 | 0 | 4 | 4.6 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104121 | 104537 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 446 | 7 | 0 | 4 | 4.6 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
58055745 | 104538 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 475 | 8 | 0 | 4 | 5.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104122 | 104538 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 475 | 8 | 0 | 4 | 5.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
44287938 | 100464 | None | 0 | Human | Binding | pIC50 | = | 4.1 | 4.1 | - | 0 | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL290175 | 100464 | None | 0 | Human | Binding | pIC50 | = | 4.1 | 4.1 | - | 0 | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL269515 | 213252 | None | 0 | Rat | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
CHEMBL268351 | 213208 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C1CCCCC1)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
CHEMBL415176 | 215637 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C1CCCCC1 | 10.1016/S0960-894X(00)80696-4 | |||||
CHEMBL4227359 | 215770 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)CC1)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)c1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O | 10.1016/j.bmc.2017.12.014 | |||||
56680425 | 65058 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 571 | 9 | 1 | 5 | 6.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823359 | 65058 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 571 | 9 | 1 | 5 | 6.2 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
137632601 | 156428 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1824 | 57 | 29 | 24 | -8.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
CHEMBL4065791 | 156428 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1824 | 57 | 29 | 24 | -8.3 | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2017.06.055 | |||
137650904 | 157308 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL4076091 | 157308 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 1813 | 58 | 28 | 22 | -4.6 | CCC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O | 10.1021/acsmedchemlett.7b00047 | |||
CHEMBL3578016 | 214227 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
58870701 | 104577 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 480 | 8 | 1 | 4 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104209 | 104577 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 480 | 8 | 1 | 4 | 4.7 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11179227 | 96867 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 485 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL265065 | 96867 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 485 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11179227 | 96867 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 485 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL265065 | 96867 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 485 | 7 | 0 | 3 | 5.7 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
58055750 | 104558 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 449 | 7 | 1 | 4 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(C)n[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104190 | 104558 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 449 | 7 | 1 | 4 | 4.3 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(C)n[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL439534 | 216306 | None | 0 | Rat | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm00007a012 | |||||
58055719 | 104554 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 478 | 8 | 1 | 5 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104186 | 104554 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 478 | 8 | 1 | 5 | 4.5 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)[nH]3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
58055741 | 104550 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 451 | 7 | 0 | 6 | 3.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104182 | 104550 | None | 0 | Human | Binding | pIC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 451 | 7 | 0 | 6 | 3.9 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
16146919 | 161774 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | |||
44342654 | 161774 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | |||
91931418 | 161774 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | |||
CHEMBL413232 | 161774 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 1916 | 63 | 29 | 26 | -8.4 | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)Cc1ccc(O)cc1 | 10.1021/jm000052z | |||
11192050 | 78121 | None | 0 | Human | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL21019 | 78121 | None | 0 | Human | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
11192050 | 78121 | None | 0 | Human | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL21019 | 78121 | None | 0 | Human | Binding | pIC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 547 | 6 | 0 | 3 | 6.3 | CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
25151876 | 65074 | None | 21 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL1823577 | 65074 | None | 21 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 565 | 9 | 1 | 5 | 5.9 | CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 | 10.1016/j.bmcl.2011.06.136 | |||
CHEMBL3578016 | 214227 | None | 0 | Human | Binding | pIC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578018 | 214229 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
CHEMBL3578018 | 214229 | None | 0 | Human | Binding | pIC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | None | None | None | CC(=O)NC(CNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm501702q | |||||
58055778 | 104536 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 449 | 7 | 0 | 5 | 4.0 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cnn(C)c3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104120 | 104536 | None | 0 | Human | Binding | pIC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 449 | 7 | 0 | 5 | 4.0 | CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cnn(C)c3)cc2F)CC1 | 10.1016/j.bmcl.2013.11.061 | |||
11751925 | 163160 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 477 | 4 | 0 | 3 | 4.6 | CC(=O)N1CCc2ccc(N(C(=O)C#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
CHEMBL417641 | 163160 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 477 | 4 | 0 | 3 | 4.6 | CC(=O)N1CCc2ccc(N(C(=O)C#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2003.12.057 | |||
76313843 | 104591 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 463 | 5 | 0 | 3 | 5.1 | CC(=O)N1CCc2ccc(N(CC#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
CHEMBL3104223 | 104591 | None | 0 | Human | Binding | pIC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 463 | 5 | 0 | 3 | 5.1 | CC(=O)N1CCc2ccc(N(CC#Cc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 | 10.1016/j.bmcl.2013.11.061 | |||
44288390 | 161928 | None | 0 | Human | Binding | pIC50 | = | 4.0 | 4.0 | - | 0 | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL41457 | 161928 | None | 0 | Human | Binding | pIC50 | = | 4.0 | 4.0 | - | 0 | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | |||
CHEMBL3559527 | 214200 | None | 0 | Human | Binding | pKd | = | 9.1 | 9.1 | 112 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||||
CHEMBL414947 | 215624 | None | 0 | Human | Binding | pKd | = | 8.9 | 8.9 | - | 1 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC | 10.1021/jm00098a009 | |||||
CHEMBL409167 | 215208 | None | 1 | Human | Binding | pKd | = | 8.7 | 8.7 | 426 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||||
CHEMBL386202 | 214839 | None | 0 | Human | Binding | pKd | = | 6.9 | 6.9 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||||
44346979 | 96855 | None | 0 | Human | Binding | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 3556 | 112 | 49 | 49 | -11.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C(C)=O)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
91928647 | 96855 | None | 0 | Human | Binding | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 3556 | 112 | 49 | 49 | -11.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C(C)=O)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
CHEMBL265008 | 96855 | None | 0 | Human | Binding | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 3556 | 112 | 49 | 49 | -11.9 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C(C)=O)[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
44346875 | 141732 | None | 0 | Human | Binding | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 2325 | 58 | 34 | 32 | -10.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@]1(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/jm00098a009 | |||
91928649 | 141732 | None | 0 | Human | Binding | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 2325 | 58 | 34 | 32 | -10.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@]1(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/jm00098a009 | |||
CHEMBL385339 | 141732 | None | 0 | Human | Binding | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 2325 | 58 | 34 | 32 | -10.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@]1(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/jm00098a009 | |||
CHEMBL406025 | 215053 | None | 0 | Human | Binding | pKd | = | 6.4 | 6.4 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||||
44346978 | 96936 | None | 0 | Human | Binding | pKd | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4235 | 131 | 57 | 59 | -17.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(C)=O)[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
91928651 | 96936 | None | 0 | Human | Binding | pKd | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4235 | 131 | 57 | 59 | -17.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(C)=O)[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
CHEMBL265637 | 96936 | None | 0 | Human | Binding | pKd | = | 8.3 | 8.3 | - | 1 | ChEMBL | 4235 | 131 | 57 | 59 | -17.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(C)=O)[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00098a009 | |||
44346928 | 168975 | None | 0 | Human | Binding | pKd | = | 6.2 | 6.2 | - | 1 | ChEMBL | 2398 | 64 | 37 | 33 | -10.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||
91928646 | 168975 | None | 0 | Human | Binding | pKd | = | 6.2 | 6.2 | - | 1 | ChEMBL | 2398 | 64 | 37 | 33 | -10.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||
CHEMBL438211 | 168975 | None | 0 | Human | Binding | pKd | = | 6.2 | 6.2 | - | 1 | ChEMBL | 2398 | 64 | 37 | 33 | -10.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]1(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||
CHEMBL425080 | 215789 | None | 0 | Human | Binding | pKd | = | 6.0 | 6.0 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O | 10.1021/jm00098a009 | |||||
1504 | 2807 | None | 7 | Human | Binding | pKi | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
1518 | 2807 | None | 7 | Human | Binding | pKi | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
1521 | 2807 | None | 7 | Human | Binding | pKi | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pKi | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pKi | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pKi | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pKi | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pKi | = | 10.1 | 10.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
91928728 | 213184 | None | 17 | Human | Binding | pKi | = | 10.1 | 10.1 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | |||||
CHEMBL267633 | 213184 | None | 17 | Human | Binding | pKi | = | 10.1 | 10.1 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm8007618 | |||||
CHEMBL2392022 | 212872 | None | 0 | Human | Binding | pKi | = | 9.9 | 9.9 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.01.025 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 9.7 | 9.7 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL429531 | 215998 | None | 17 | Human | Binding | pKi | = | 9.6 | 9.6 | -2 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | |||||
CHEMBL4279794 | 215860 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 63 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
56841989 | 215881 | None | 6 | Human | Binding | pKi | = | 9.6 | 9.6 | -2 | 7 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281479 | 215881 | None | 6 | Human | Binding | pKi | = | 9.6 | 9.6 | -2 | 7 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4279794 | 215860 | None | 0 | Human | Binding | pKi | = | 9.6 | 9.6 | 63 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
56841989 | 215881 | None | 6 | Human | Binding | pKi | = | 9.6 | 9.6 | -2 | 7 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281479 | 215881 | None | 6 | Human | Binding | pKi | = | 9.6 | 9.6 | -2 | 7 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
91928728 | 213184 | None | 17 | Human | Binding | pKi | = | 9.5 | 9.5 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL267633 | 213184 | None | 17 | Human | Binding | pKi | = | 9.5 | 9.5 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
1505 | 2881 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -4 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL441396 | 2881 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -4 | 4 | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL2370625 | 212352 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL2370633 | 212359 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | 426 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL2370635 | 212361 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CNC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CCC(=O)N2)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/jm00055a010 | |||||
CHEMBL4292105 | 215974 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | 7 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4292105 | 215974 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | 7 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL439904 | 216315 | None | 12 | Human | Binding | pKi | = | 9.4 | 9.4 | 50 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL410007 | 215255 | None | 0 | Human | Binding | pKi | = | 9.4 | 9.4 | 1023 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4277590 | 215834 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL427974 | 215859 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | - | 1 | ChEMBL | None | None | None | CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)[C@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL437421 | 216178 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/jm00055a010 | |||||
CHEMBL4277590 | 215834 | None | 0 | Human | Binding | pKi | = | 9.3 | 9.3 | 1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL429159 | 215968 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 100 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL4290445 | 215956 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 630 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290445 | 215956 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 630 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2311081 | 211963 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 58 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4277676 | 215836 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 100 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4284905 | 215911 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | -3 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4277676 | 215836 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 100 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4284905 | 215911 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | -3 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL437863 | 216198 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
1504 | 2807 | None | 7 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
1518 | 2807 | None | 7 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
1521 | 2807 | None | 7 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pKi | = | 9.1 | 9.1 | -2 | 10 | ChEMBL | None | None | None | None | 10.1021/jm4008505 | |||||
1507 | 2883 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 12 | 7 | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
44351001 | 2883 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 12 | 7 | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
91929182 | 2883 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 12 | 7 | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL265849 | 2883 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 12 | 7 | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL414051 | 215566 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 323 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349039 | 213866 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 4 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
44350924 | 169091 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
91929378 | 169091 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL439122 | 169091 | None | 0 | Human | Binding | pKi | = | 9 | 9.0 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL2370634 | 212360 | None | 0 | Human | Binding | pKi | = | 9.0 | 9.0 | 208 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4279973 | 215862 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | -8 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4280392 | 215867 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 100 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294418 | 215992 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 38 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4279973 | 215862 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | -8 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4280392 | 215867 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 100 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294418 | 215992 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 38 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL437656 | 216190 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL263848 | 213051 | None | 0 | Human | Binding | pKi | = | 8.9 | 8.9 | 16 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL2370632 | 212358 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4281010 | 215874 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | 12 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283257 | 215898 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | 645 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2440926 | 213419 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | -23 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040657 | 213419 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | -23 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL4290488 | 215957 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | -1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4291705 | 215971 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | 1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL411117 | 215325 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -3801 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||||
CHEMBL408891 | 215198 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -199 | 3 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
3198 | 207971 | None | 50 | Human | Binding | pKi | = | 5.0 | 5.0 | -46 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL1201049 | 207971 | None | 50 | Human | Binding | pKi | = | 5.0 | 5.0 | -46 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
CHEMBL808 | 207971 | None | 50 | Human | Binding | pKi | = | 5.0 | 5.0 | -46 | 34 | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
44422859 | 168885 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | - | 1 | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
91971091 | 168885 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | - | 1 | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
CHEMBL437487 | 168885 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | - | 1 | ChEMBL | 1782 | 56 | 28 | 24 | -5.0 | CSc1ncccc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm061454v | |||
CHEMBL386823 | 214855 | None | 11 | Human | Binding | pKi | = | 8.0 | 8.0 | -2 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | |||||
CHEMBL591971 | 218293 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | -1 | 3 | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2009.12.068 | |||||
44439570 | 153079 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | - | 1 | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936054 | 153079 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | - | 1 | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL397529 | 153079 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | - | 1 | ChEMBL | 1742 | 54 | 29 | 23 | -6.3 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL2440912 | 213426 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -3 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040729 | 213426 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -3 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL413426 | 215526 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -234 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC | 10.1021/jm010031k | |||||
44350924 | 169091 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
91929378 | 169091 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
CHEMBL439122 | 169091 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
CHEMBL4280898 | 215871 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -2 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
44350924 | 169091 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
91929378 | 169091 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
CHEMBL439122 | 169091 | None | 0 | Human | Binding | pKi | = | 7.9 | 7.9 | 36 | 4 | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | |||
CHEMBL2440925 | 213422 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -32 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040675 | 213422 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -32 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL4280898 | 215871 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -2 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
127030359 | 139294 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -1096 | 4 | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3787528 | 139294 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -1096 | 4 | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3787713 | 139294 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -1096 | 4 | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4535525 | 139294 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -1096 | 4 | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL2440915 | 213424 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -5 | 2 | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040692 | 213424 | None | 0 | Human | Binding | pKi | = | 5.9 | 5.9 | -5 | 2 | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL438914 | 216268 | None | 12 | Human | Binding | pKi | = | 5.9 | 5.9 | -54 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC | 10.1021/jm010031k | |||||
CHEMBL2440928 | 213420 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -39 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040658 | 213420 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -39 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL2440185 | 212934 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4289416 | 215947 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | 8 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290891 | 215965 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -5 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4278746 | 215852 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | 3 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287140 | 215929 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -1000 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4289416 | 215947 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | 8 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290891 | 215965 | None | 0 | Human | Binding | pKi | = | 6.8 | 6.8 | -5 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4278746 | 215852 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | 3 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287140 | 215929 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -1000 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
10820168 | 96913 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -47 | 4 | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | |||
CHEMBL265391 | 96913 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -47 | 4 | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | |||
127029975 | 139303 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -338 | 4 | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3785576 | 139303 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -338 | 4 | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3787766 | 139303 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -338 | 4 | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
44439571 | 161281 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | - | 1 | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936055 | 161281 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | - | 1 | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL411766 | 161281 | None | 0 | Human | Binding | pKi | = | 7.8 | 7.8 | - | 1 | ChEMBL | 1762 | 54 | 29 | 23 | -5.8 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 7.7 | 7.7 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL2440927 | 213431 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -57 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040781 | 213431 | None | 0 | Human | Binding | pKi | = | 5.8 | 5.8 | -57 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4290615 | 215958 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | 1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4293564 | 215985 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281010 | 215874 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | 12 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283257 | 215898 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | 645 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3349038 | 213865 | None | 0 | Human | Binding | pKi | = | 8.7 | 8.7 | 6 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL2370624 | 212351 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 95 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4285633 | 215918 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 39 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287058 | 215928 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 316 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294277 | 215991 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 10 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL411979 | 215427 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 83 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL4285633 | 215918 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 39 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287058 | 215928 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 316 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4294277 | 215991 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 10 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL127282 | 211129 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 1 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
71719108 | 86085 | None | 1 | Human | Binding | pKi | = | 8.6 | 8.6 | 125 | 4 | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmc.2013.08.065 | |||
CHEMBL2307889 | 86085 | None | 1 | Human | Binding | pKi | = | 8.6 | 8.6 | 125 | 4 | ChEMBL | 895 | 16 | 6 | 11 | 3.5 | N=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmc.2013.08.065 | |||
44351121 | 159082 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 6 | 2 | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
91929374 | 159082 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 6 | 2 | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL409634 | 159082 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 6 | 2 | ChEMBL | 3255 | 91 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4290615 | 215958 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | 1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL393255 | 214926 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
CHEMBL4293564 | 215985 | None | 0 | Human | Binding | pKi | = | 5.7 | 5.7 | -1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL439307 | 216297 | None | 20 | Human | Binding | pKi | = | 5.7 | 5.7 | -57 | 2 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
CHEMBL2440195 | 212943 | None | 0 | Human | Binding | pKi | = | 6.7 | 6.7 | -15 | 2 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm4008505 | |||||
CHEMBL2440898 | 213423 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -11 | 3 | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CNC(=O)CCC(=O)NCCN(CCN)CCNC(=O)CCC(=O)NCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040691 | 213423 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -11 | 3 | ChEMBL | None | None | None | N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCNC(=O)CNC(=O)CCC(=O)NCCN(CCN)CCNC(=O)CCC(=O)NCC(=O)NCCCCNC(=O)NCc2ccc(CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL4289021 | 215944 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | 1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4289021 | 215944 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | 1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281120 | 215875 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | 3 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283705 | 215902 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282616 | 215893 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -50 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4281120 | 215875 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | 3 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283705 | 215902 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282616 | 215893 | None | 0 | Human | Binding | pKi | = | 5.6 | 5.6 | -50 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3104111 | 213511 | None | 0 | Human | Binding | pKi | = | 7.6 | 7.6 | - | 1 | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL2371910 | 212609 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | -69 | 3 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL268200 | 213201 | None | 0 | Human | Binding | pKi | = | 6.6 | 6.6 | - | 1 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL238533 | 212852 | None | 0 | Human | Binding | pKi | = | 8.5 | 8.5 | 128 | 2 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL4282168 | 215890 | None | 0 | Human | Binding | pKi | = | 8.5 | 8.5 | 199 | 4 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL266730 | 213155 | None | 0 | Human | Binding | pKi | = | 8.5 | 8.5 | 51 | 2 | ChEMBL | None | None | None | None | 10.1021/jm00055a010 | |||||
CHEMBL4282168 | 215890 | None | 0 | Human | Binding | pKi | = | 8.5 | 8.5 | 199 | 4 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349341 | 213867 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | 72 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL427966 | 215858 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | 25 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||||
CHEMBL392889 | 214920 | None | 0 | Human | Binding | pKi | = | 7.5 | 7.5 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL2371910 | 212609 | None | 0 | Human | Binding | pKi | = | 6.5 | 6.5 | -69 | 3 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL4290048 | 215951 | None | 0 | Human | Binding | pKi | = | 6.5 | 6.5 | -1995 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4290048 | 215951 | None | 0 | Human | Binding | pKi | = | 6.5 | 6.5 | -1995 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL265426 | 213109 | None | 0 | Human | Binding | pKi | = | 5.5 | 5.5 | -77 | 2 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
CHEMBL2371909 | 212608 | None | 0 | Human | Binding | pKi | = | 6.4 | 6.4 | -87 | 3 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL4277697 | 215837 | None | 0 | Human | Binding | pKi | = | 7.4 | 7.4 | 1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283846 | 215904 | None | 0 | Human | Binding | pKi | = | 7.4 | 7.4 | 3 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2371911 | 212610 | None | 0 | Human | Binding | pKi | = | 6.4 | 6.4 | -154 | 3 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL429071 | 215961 | None | 0 | Human | Binding | pKi | = | 5.4 | 5.4 | -81 | 2 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
16216479 | 85558 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
91936049 | 85558 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
CHEMBL227456 | 85558 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/jm061454v | |||
16216479 | 85558 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936049 | 85558 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL227456 | 85558 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439564 | 91820 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936057 | 91820 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL241105 | 91820 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.4 | 8.4 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL4277697 | 215837 | None | 0 | Human | Binding | pKi | = | 7.4 | 7.4 | 1 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4283846 | 215904 | None | 0 | Human | Binding | pKi | = | 7.4 | 7.4 | 3 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2440911 | 213430 | None | 0 | Human | Binding | pKi | = | 5.4 | 5.4 | -18 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040758 | 213430 | None | 0 | Human | Binding | pKi | = | 5.4 | 5.4 | -18 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
155543070 | 173292 | None | 0 | Human | Binding | pKi | = | 6.4 | 6.4 | -257 | 4 | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4522438 | 173292 | None | 0 | Human | Binding | pKi | = | 6.4 | 6.4 | -257 | 4 | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4570354 | 173292 | None | 0 | Human | Binding | pKi | = | 6.4 | 6.4 | -257 | 4 | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL428017 | 215863 | None | 18 | Human | Binding | pKi | = | 8.3 | 8.3 | 41 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL4286615 | 215925 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | -501 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL428017 | 215863 | None | 18 | Human | Binding | pKi | = | 8.3 | 8.3 | 41 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
44439569 | 161278 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
91936061 | 161278 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL411765 | 161278 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | - | 1 | ChEMBL | 1766 | 55 | 29 | 24 | -5.9 | COc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL4286615 | 215925 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | -501 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL604165 | 218311 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | -14 | 3 | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2009.12.068 | |||||
44351120 | 168913 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | 16 | 2 | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
91929372 | 168913 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | 16 | 2 | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL437671 | 168913 | None | 0 | Human | Binding | pKi | = | 8.3 | 8.3 | 16 | 2 | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL4280250 | 215865 | None | 0 | Human | Binding | pKi | = | 7.3 | 7.3 | -1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287469 | 215931 | None | 0 | Human | Binding | pKi | = | 7.3 | 7.3 | 1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL413871 | 215553 | None | 0 | Human | Binding | pKi | = | 7.3 | 7.3 | -12 | 3 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL4280250 | 215865 | None | 0 | Human | Binding | pKi | = | 7.3 | 7.3 | -1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4287469 | 215931 | None | 0 | Human | Binding | pKi | = | 7.3 | 7.3 | 1 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4276961 | 215829 | None | 0 | Human | Binding | pKi | = | 5.3 | 5.3 | -501187 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4276961 | 215829 | None | 0 | Human | Binding | pKi | = | 5.3 | 5.3 | -501187 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL2371911 | 212610 | None | 0 | Human | Binding | pKi | = | 6.3 | 6.3 | -154 | 3 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm050907d | |||||
CHEMBL2110365 | 211672 | None | 1 | Human | Binding | pKi | = | 7.3 | 7.3 | -204 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||||
44439568 | 97082 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
91936060 | 97082 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL266814 | 97082 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1750 | 54 | 29 | 23 | -5.6 | Cc1cc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@@H](C)O)C(C)C)ccc1N | 10.1016/j.bmcl.2006.10.007 | |||
44439565 | 153077 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936058 | 153077 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL397528 | 153077 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1736 | 54 | 29 | 23 | -5.9 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439567 | 168793 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936048 | 168793 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL436630 | 168793 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1770 | 54 | 29 | 23 | -5.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
44439566 | 168863 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
91936059 | 168863 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL437290 | 168863 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | 1721 | 54 | 28 | 22 | -5.5 | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||
CHEMBL4278700 | 215851 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | -63 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4288294 | 215939 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | 15 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4278700 | 215851 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | -63 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4288294 | 215939 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | 15 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
44351146 | 169315 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | 3 | 2 | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
91929377 | 169315 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | 3 | 2 | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL440824 | 169315 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | 3 | 2 | ChEMBL | 3255 | 89 | 45 | 45 | -10.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00055a010 | |||
CHEMBL2440924 | 212949 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -20 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL410780 | 215300 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -6 | 2 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
44283050 | 159576 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -1348 | 4 | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
91931647 | 159576 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -1348 | 4 | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
CHEMBL410166 | 159576 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -1348 | 4 | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | |||
CHEMBL4291016 | 215966 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -6 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4291016 | 215966 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -6 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL397527 | 214967 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL2440922 | 213425 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | None | None | None | NCCCCCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040693 | 213425 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | None | None | None | NCCCCCCNC(=O)/N=C(/N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL2440185 | 212934 | None | 0 | Human | Binding | pKi | = | 8.2 | 8.2 | - | 1 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.1 | 8.1 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL2110196 | 211671 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -4 | 2 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
CHEMBL2440196 | 212944 | None | 0 | Human | Binding | pKi | = | 6.2 | 6.2 | -7 | 2 | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm4008505 | |||||
127031281 | 139293 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -537 | 4 | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3785569 | 139293 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -537 | 4 | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL3787712 | 139293 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -537 | 4 | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL411793 | 215416 | None | 0 | Human | Binding | pKi | = | 7.1 | 7.1 | - | 1 | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1016/j.bmcl.2006.10.007 | |||||
155549336 | 174367 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -269 | 4 | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4549208 | 174367 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -269 | 4 | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL2440913 | 213427 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -14 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040730 | 213427 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -14 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL4276796 | 215827 | None | 0 | Human | Binding | pKi | = | 7.1 | 7.1 | 19 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4279133 | 215854 | None | 0 | Human | Binding | pKi | = | 7.1 | 7.1 | 7 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4276796 | 215827 | None | 0 | Human | Binding | pKi | = | 7.1 | 7.1 | 19 | 3 | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4279133 | 215854 | None | 0 | Human | Binding | pKi | = | 7.1 | 7.1 | 7 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282216 | 215891 | None | 0 | Human | Binding | pKi | = | 5.1 | 5.1 | -1258 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL4282216 | 215891 | None | 0 | Human | Binding | pKi | = | 5.1 | 5.1 | -1258 | 4 | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | |||||
CHEMBL234198 | 211995 | None | 0 | Human | Binding | pKi | = | 8.1 | 8.1 | - | 1 | ChEMBL | None | None | None | CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1016/j.bmcl.2007.01.045 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 8.1 | 8.1 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
44283143 | 161792 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -363 | 4 | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
91931648 | 161792 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -363 | 4 | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
CHEMBL413455 | 161792 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -363 | 4 | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | |||
155524657 | 171092 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -1513 | 4 | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4456247 | 171092 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -1513 | 4 | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL2440899 | 213429 | None | 0 | Human | Binding | pKi | = | 7.1 | 7.1 | 2 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040747 | 213429 | None | 0 | Human | Binding | pKi | = | 7.1 | 7.1 | 2 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3349022 | 213863 | None | 0 | Human | Binding | pKi | = | 7.1 | 7.1 | 3 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm00076a007 | |||||
CHEMBL2371908 | 212607 | None | 0 | Human | Binding | pKi | = | 6.1 | 6.1 | -17782 | 3 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O | 10.1021/jm050907d | |||||
CHEMBL269267 | 213243 | None | 0 | Human | Binding | pKi | = | 8.1 | 8.1 | 13 | 2 | ChEMBL | None | None | None | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
CHEMBL3104112 | 213512 | None | 0 | Human | Binding | pKi | = | 8.0 | 8.0 | 69 | 3 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2013.11.061 | |||||
CHEMBL3104224 | 213513 | None | 0 | Human | Binding | pKi | = | 8 | 8.0 | - | 1 | ChEMBL | None | None | None | CCC(=O)NCCNC(=O)CCCC(=O)NC(=N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O | 10.1016/j.bmcl.2013.11.061 | |||||
172457807 | 197462 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -9999 | 2 | ChEMBL | 1221 | 25 | 21 | 17 | -4.2 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)[C@H](NC(=O)CCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.3c01224 | |||
CHEMBL5421880 | 197462 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -9999 | 2 | ChEMBL | 1221 | 25 | 21 | 17 | -4.2 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)[C@H](NC(=O)CCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.3c01224 | |||
CHEMBL5499491 | 197462 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -9999 | 2 | ChEMBL | 1221 | 25 | 21 | 17 | -4.2 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)[C@H](NC(=O)CCCN)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.3c01224 | |||
CHEMBL2440914 | 213428 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -26 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL3040731 | 213428 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -26 | 3 | ChEMBL | None | None | None | NCCN(CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1)CCNC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2013.08.065 | |||||
CHEMBL429005 | 215952 | None | 0 | Human | Binding | pKi | = | 7.0 | 7.0 | 5 | 2 | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | |||||
85472343 | 172405 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -154 | 4 | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL4475071 | 172405 | None | 0 | Human | Binding | pKi | = | 6.0 | 6.0 | -154 | 4 | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | |||
CHEMBL441204 | 216346 | None | 0 | Human | Binding | pKi | = | 6 | 6.0 | -10 | 2 | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm950811r | |||||
1504 | 2807 | None | 7 | Human | Binding | pKd | None | 9.2 | 9.2 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
1518 | 2807 | None | 7 | Human | Binding | pKd | None | 9.2 | 9.2 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
1521 | 2807 | None | 7 | Human | Binding | pKd | None | 9.2 | 9.2 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pKd | None | 9.2 | 9.2 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pKd | None | 9.2 | 9.2 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pKd | None | 9.2 | 9.2 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pKd | None | 9.2 | 9.2 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pKd | None | 9.2 | 9.2 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7559383 | |||||
164509830 | 218544 | 125I-PYY | 0 | Guinea pig | Binding | pKi | = | 10.5 | 10.5 | 2 | 7 | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
164509830 | 218544 | [125I] - Peptide YY | 0 | Rat | Binding | pKi | = | 10.2 | 10.2 | -2 | 7 | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
164509830 | 218544 | [125I] - Peptide YY | 0 | Rat | Binding | pKi | = | 10.1 | 10.1 | -2 | 7 | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
126455957 | 218543 | 125I-PYY | 0 | Human | Binding | pKi | = | 9.8 | 9.8 | -3 | 5 | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
126455957 | 218543 | 125I-PYY | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -3 | 5 | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
164509830 | 218544 | 125I-PYY | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -10 | 7 | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
164509830 | 218544 | 125I-PYY | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -10 | 7 | PDSP KiDatabase | 1343 | 78 | 1 | 7 | 27.5 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC | None | |||
126455957 | 218543 | 125I-NPY | 0 | Human | Binding | pKi | = | 9.2 | 9.2 | -3 | 5 | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
56841989 | 215881 | 125I-PYY | 6 | Mouse | Binding | pKi | = | 9.2 | 9.2 | -2 | 7 | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
CHEMBL4281479 | 215881 | 125I-PYY | 6 | Mouse | Binding | pKi | = | 9.2 | 9.2 | -2 | 7 | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
126455957 | 218543 | 125I-PYY | 0 | Human | Binding | pKi | = | 9 | 9.0 | -3 | 5 | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
21129772 | 169527 | [125I] - Peptide YY | 4 | Chicken | Binding | pKi | = | 6 | 6.0 | -309 | 8 | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
CHEMBL44246 | 169527 | [125I] - Peptide YY | 4 | Chicken | Binding | pKi | = | 6 | 6.0 | -309 | 8 | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
None | 218545 | [125I] - Peptide YY | 0 | Chicken | Binding | pKi | = | 6 | 6.0 | -331131 | 13 | PDSP KiDatabase | None | None | None | None | None | |||||
None | 218545 | 125I-PYY | 0 | Human | Binding | pKi | = | 6 | 6.0 | -501187 | 13 | PDSP KiDatabase | None | None | None | None | None | |||||
None | 218545 | 3H-Propionyl-NPY | 0 | Human | Binding | pKi | = | 6 | 6.0 | -501187 | 13 | PDSP KiDatabase | None | None | None | None | None | |||||
None | 218545 | 125I-PYY | 0 | Mouse | Binding | pKi | = | 6 | 6.0 | -331131 | 13 | PDSP KiDatabase | None | None | None | None | None | |||||
None | 218545 | [125I] - Peptide YY | 0 | Rat | Binding | pKi | = | 6 | 6.0 | -331131 | 13 | PDSP KiDatabase | None | None | None | None | None | |||||
None | 218546 | 125I-PYY | 0 | Guinea pig | Binding | pKi | = | 6 | 6.0 | -165958 | 4 | PDSP KiDatabase | None | None | None | None | None | |||||
None | 218547 | [125I] - Peptide YY | 0 | Chicken | Binding | pKi | = | 6 | 6.0 | -371535 | 8 | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | |||
None | 218547 | [125I] - Peptide YY | 0 | Rat | Binding | pKi | = | 6 | 6.0 | -371535 | 8 | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | |||
None | 218974 | [125I] - Peptide YY | 0 | Chicken | Binding | pKi | = | 6 | 6.0 | -776 | 2 | PDSP KiDatabase | 750 | 15 | 3 | 6 | 5.2 | CN(C)CC1CCC(CC1)CN=C(C2=CC=C(C=C2)CC(C(=O)N3CCCC3)NC(=O)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC6=CC=CC=C6C=C5)N | None | |||
3075702 | 219818 | 125I-Peptide YY | 0 | Human | Binding | pKi | = | 6 | 6.0 | -2 | 37 | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | |||
44208932 | 140794 | UNDEFINED | 4 | Human | Binding | pKi | = | 5 | 5.0 | -89125 | 37 | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
CHEMBL381689 | 140794 | UNDEFINED | 4 | Human | Binding | pKi | = | 5 | 5.0 | -89125 | 37 | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
21129772 | 169527 | 125I-PYY | 4 | Guinea pig | Binding | pKi | = | 5 | 5.0 | -3090 | 8 | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
CHEMBL44246 | 169527 | 125I-PYY | 4 | Guinea pig | Binding | pKi | = | 5 | 5.0 | -3090 | 8 | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | |||
1973 | 205941 | 125I-NEUROPEPTIDE Y | 12 | Rat | Binding | pKi | = | 5 | 5.0 | -3 | 36 | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
CHEMBL1394464 | 205941 | 125I-NEUROPEPTIDE Y | 12 | Rat | Binding | pKi | = | 5 | 5.0 | -3 | 36 | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
CHEMBL66089 | 205941 | 125I-NEUROPEPTIDE Y | 12 | Rat | Binding | pKi | = | 5 | 5.0 | -3 | 36 | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | |||
None | 218545 | 125I-PYY | 0 | Human | Binding | pKi | = | 5 | 5.0 | -501187 | 13 | PDSP KiDatabase | None | None | None | None | None | |||||
56841989 | 215881 | 125I-PYY | 6 | Human | Binding | pKi | = | 8.7 | 8.7 | -2 | 7 | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
CHEMBL4281479 | 215881 | 125I-PYY | 6 | Human | Binding | pKi | = | 8.7 | 8.7 | -2 | 7 | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | |||||
126455957 | 218543 | 125I-PYY | 0 | Human | Binding | pKi | = | 8.6 | 8.6 | -3 | 5 | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | |||
None | 218545 | 125I-PYY | 0 | Human | Binding | pKi | = | 6.5 | 6.5 | -501187 | 13 | PDSP KiDatabase | None | None | None | None | None | |||||
3198 | 207971 | None | 50 | Human | Binding | pKi | = | 8.3 | 8.3 | -46 | 34 | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
CHEMBL1201049 | 207971 | None | 50 | Human | Binding | pKi | = | 8.3 | 8.3 | -46 | 34 | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
CHEMBL808 | 207971 | None | 50 | Human | Binding | pKi | = | 8.3 | 8.3 | -46 | 34 | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
None | 218722 | [125I] - Peptide YY | 0 | Rat | Binding | pKi | = | 8.2 | 8.2 | 83 | 3 | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | |||
None | 218722 | [125I] - Peptide YY | 0 | Chicken | Binding | pKi | = | 6.2 | 6.2 | -83 | 3 | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | |||
None | 218722 | [125I] - Peptide YY | 0 | Rat | Binding | pKi | = | 8.1 | 8.1 | 83 | 3 | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | |||
1515 | 3053 | None | 0 | Rat | Binding | pKi | = | 10 | 10.0 | -1 | 6 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
CHEMBL269503 | 3053 | None | 0 | Rat | Binding | pKi | = | 10 | 10.0 | -1 | 6 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1532 | 2031 | None | 0 | Rat | Binding | pKi | = | 8.8 | 8.8 | - | 1 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1549 | 2888 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | -2 | 5 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817422 | 2888 | None | 0 | Human | Binding | pKi | = | 8.8 | 8.8 | -2 | 5 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1516 | 3242 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 39 | 5 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1516 | 3242 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 39 | 5 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
57339564 | 3242 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 39 | 5 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
57339564 | 3242 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 39 | 5 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
91898411 | 3242 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 39 | 5 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
91898411 | 3242 | None | 0 | Human | Binding | pKi | = | 9.1 | 9.1 | 39 | 5 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1504 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1504 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1518 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1518 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1521 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1521 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
24868177 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
44288922 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
77068007 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
90479759 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL438945 | 2807 | None | 7 | Human | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1504 | 2807 | None | 7 | Rat | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1518 | 2807 | None | 7 | Rat | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1521 | 2807 | None | 7 | Rat | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
24868177 | 2807 | None | 7 | Rat | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
44288922 | 2807 | None | 7 | Rat | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
77068007 | 2807 | None | 7 | Rat | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
90479759 | 2807 | None | 7 | Rat | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
CHEMBL438945 | 2807 | None | 7 | Rat | Binding | pKi | = | 9.4 | 9.4 | -2 | 10 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1517 | 3243 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | 70 | 3 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1517 | 3243 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | 70 | 3 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1515 | 3053 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -5 | 6 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL269503 | 3053 | None | 0 | Human | Binding | pKi | = | 9.5 | 9.5 | -5 | 6 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1524 | 2303 | None | 0 | Human | Binding | pKi | None | 6.1 | 6.1 | -1000 | 3 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1545 | 2302 | None | 0 | Human | Binding | pKi | None | 6.2 | 6.2 | -25118 | 4 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1527 | 2304 | None | 0 | Human | Binding | pKi | None | 6.2 | 6.2 | -9999 | 5 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1546 | 3191 | None | 0 | Human | Binding | pKi | None | 6.3 | 6.3 | -1584 | 4 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1540 | 2890 | None | 0 | Human | Binding | pKi | None | 6.5 | 6.5 | - | 1 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817421 | 2890 | None | 0 | Human | Binding | pKi | None | 6.5 | 6.5 | - | 1 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1544 | 1500 | None | 0 | Human | Binding | pKi | None | 6.8 | 6.8 | -25 | 4 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1544 | 1500 | None | 0 | Rat | Binding | pKi | None | 7.3 | 7.3 | -7 | 4 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1539 | 2887 | None | 0 | Human | Binding | pKi | None | 7.4 | 7.4 | 128 | 2 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
44265059 | 2887 | None | 0 | Human | Binding | pKi | None | 7.4 | 7.4 | 128 | 2 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
91932206 | 2887 | None | 0 | Human | Binding | pKi | None | 7.4 | 7.4 | 128 | 2 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL428276 | 2887 | None | 0 | Human | Binding | pKi | None | 7.4 | 7.4 | 128 | 2 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1547 | 633 | None | 0 | Rat | Binding | pKi | None | 8 | 8.0 | - | 1 | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 11408607 | |||
9811493 | 633 | None | 0 | Rat | Binding | pKi | None | 8 | 8.0 | - | 1 | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 11408607 | |||
CHEMBL540989 | 633 | None | 0 | Rat | Binding | pKi | None | 8 | 8.0 | - | 1 | Guide to Pharmacology | 895 | 16 | 5 | 11 | 3.3 | NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N | 11408607 | |||
1536 | 2884 | None | 0 | Human | Binding | pKi | None | 8.2 | 8.2 | - | 1 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817419 | 2884 | None | 0 | Human | Binding | pKi | None | 8.2 | 8.2 | - | 1 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1534 | 764 | None | 0 | Human | Binding | pKi | None | 8.5 | 8.5 | - | 1 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1538 | 2886 | None | 0 | Human | Binding | pKi | None | 8.5 | 8.5 | - | 1 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817420 | 2886 | None | 0 | Human | Binding | pKi | None | 8.5 | 8.5 | - | 1 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1507 | 2883 | None | 0 | Human | Binding | pKi | None | 8.7 | 8.7 | 12 | 7 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1507 | 2883 | None | 0 | Human | Binding | pKi | None | 8.7 | 8.7 | 12 | 7 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
44351001 | 2883 | None | 0 | Human | Binding | pKi | None | 8.7 | 8.7 | 12 | 7 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
44351001 | 2883 | None | 0 | Human | Binding | pKi | None | 8.7 | 8.7 | 12 | 7 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
91929182 | 2883 | None | 0 | Human | Binding | pKi | None | 8.7 | 8.7 | 12 | 7 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
91929182 | 2883 | None | 0 | Human | Binding | pKi | None | 8.7 | 8.7 | 12 | 7 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
CHEMBL265849 | 2883 | None | 0 | Human | Binding | pKi | None | 8.7 | 8.7 | 12 | 7 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL265849 | 2883 | None | 0 | Human | Binding | pKi | None | 8.7 | 8.7 | 12 | 7 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
134813886 | 2882 | None | 0 | Rat | Binding | pKi | None | 8.9 | 8.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1535 | 2882 | None | 0 | Rat | Binding | pKi | None | 8.9 | 8.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
3903 | 2882 | None | 0 | Rat | Binding | pKi | None | 8.9 | 8.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1508 | 2889 | None | 0 | Human | Binding | pKi | None | 9.0 | 9.0 | 35 | 2 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1508 | 2889 | None | 0 | Human | Binding | pKi | None | 9.0 | 9.0 | 35 | 2 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
155817417 | 2889 | None | 0 | Human | Binding | pKi | None | 9.0 | 9.0 | 35 | 2 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
155817417 | 2889 | None | 0 | Human | Binding | pKi | None | 9.0 | 9.0 | 35 | 2 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1533 | 2032 | None | 0 | Rat | Binding | pKi | None | 9.1 | 9.1 | - | 1 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1510 | 2891 | None | 0 | Rat | Binding | pKi | None | 9.1 | 9.1 | -1 | 6 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
155817418 | 2891 | None | 0 | Rat | Binding | pKi | None | 9.1 | 9.1 | -1 | 6 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
16142730 | 2891 | None | 0 | Rat | Binding | pKi | None | 9.1 | 9.1 | -1 | 6 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
1505 | 2881 | None | 0 | Human | Binding | pKi | None | 9.2 | 9.2 | -4 | 4 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1505 | 2881 | None | 0 | Human | Binding | pKi | None | 9.2 | 9.2 | -4 | 4 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
CHEMBL441396 | 2881 | None | 0 | Human | Binding | pKi | None | 9.2 | 9.2 | -4 | 4 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
CHEMBL441396 | 2881 | None | 0 | Human | Binding | pKi | None | 9.2 | 9.2 | -4 | 4 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1510 | 2891 | None | 0 | Human | Binding | pKi | None | 9.2 | 9.2 | 1 | 6 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
155817418 | 2891 | None | 0 | Human | Binding | pKi | None | 9.2 | 9.2 | 1 | 6 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
16142730 | 2891 | None | 0 | Human | Binding | pKi | None | 9.2 | 9.2 | 1 | 6 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1514 | 3052 | None | 0 | Human | Binding | pKi | None | 9.7 | 9.7 | 7 | 3 | Guide to Pharmacology | None | None | None | None | 7592910 | |||||
1514 | 3052 | None | 0 | Human | Binding | pKi | None | 9.7 | 9.7 | 7 | 3 | Guide to Pharmacology | None | None | None | None | 8632753 | |||||
1543 | 3245 | None | 0 | Rat | Binding | pKi | None | 9.9 | 9.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 11408607 | |||||
91663466 | 3245 | None | 0 | Rat | Binding | pKi | None | 9.9 | 9.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 11408607 |